Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Pentane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.60 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 7/20 | 0.88 |
| ▸ | LMNA | P02545 | 3/20 | 0.88 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.43 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | DNM1 | Q05193 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Pentane SCHEMBL8817176 | 1.00 | TSHR (0.88) | TSHRLMNATHRBALDH1A1TDP1 | |
| Pentane SCHEMBL670595 | 1.00 | TSHR (0.88) | TSHRLMNATHRBALDH1A1TDP1 | |
| Pentane SCHEMBL4651036 | 1.00 | — | — | |
| Pentane SCHEMBL2002064 | 1.00 | TSHR (0.88) | TSHRLMNATHRBALDH1A1TDP1 | |
| Pentane SCHEMBL7043796 | 1.00 | TSHR (0.88) | TSHRLMNATHRBALDH1A1TDP1 | |
| Pentane SCHEMBL669332 | 1.00 | TSHR (0.88) | TSHRLMNATHRBALDH1A1TDP1 | |
| Pentane SCHEMBL7167165 | 1.00 | TSHR (0.88) | TSHRLMNATHRBALDH1A1TDP1 | |
| Pentane SCHEMBL8650228 | 1.00 | TSHR (0.88) | TSHRLMNATHRBALDH1A1TDP1 | |
| Pentane SCHEMBL436496 | 1.00 | TSHR (0.88) | TSHRLMNATHRBALDH1A1TDP1 | |
| Pentane SCHEMBL2500753 | 1.00 | TSHR (0.88) | TSHRLMNATHRBALDH1A1TDP1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023064152-A1 | TRICYCLIC SULFAMIDES AND SULTAMS | MERCK SHARP & DOHME LLC (US) | 2023-04-20 | — | — | WO | disclosed |
| CN-114206835-A | Process for fluoroalkylating enamines | 阿尔萨达股份公司 | 2022-03-18 | — | — | CN | disclosed |
| CN-113950481-A | Macrocyclic compounds | 芝诺管理公司 | 2022-01-18 | — | — | CN | disclosed |
| CN-113382989-A | Method for producing fluoroalkylated 1, 4-dioxines by homogeneous Ni catalysis | 隆萨解决方案股份公司 | 2021-09-10 | — | — | CN | disclosed |
| CN-105683166-B | Substituted pyrimidine Bmi-1 inhibitors | PTC医疗公司 | 2020-06-16 | — | — | CN | disclosed |
| US-20200172896-A1 | EVOLUTION OF BIOACTIVE SEQUENCE-DEFINED SYNTHETIC POLYMERS USING DNA-TEMPLATED POLYMERIZATION | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2020-06-04 | — | — | US | disclosed |
| WO-2019010441-A1 | EVOLUTION BIOACTIVE SEQUENCE-DEFINED SYNTHETIC POLYMERS USING DNA-TEMPLATED POLYMERIZATION | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2019-01-10 | — | — | WO | disclosed |
| US-20160255833-A1 | PLANT VOLATILES | KEYGENE N.V. (NL) | 2016-09-08 | — | — | US | disclosed |
| WO-2016134765-A1 | ELECTRODE MATERIAL FOR LITHIUM-ION BATTERIES AND PREPARATION METHOD THEREOF | Westfälische Wilhelms-Universität Münster (DE) | 2016-09-01 | — | — | WO | disclosed |
| EP-1689807-B1 | NOVEL DENDRITIC POLYMERS HAVING MONOPHOSPHONIC TERMINATIONS, METHOD FOR PREPARING THEM, AND THEIR USE | RHODIA UK LTD (GB) | 2016-08-17 | — | — | EP | disclosed |
| WO-2006010930-A2 | ENZYMES | DANISCO A/S (DK) | 2006-02-02 | — | — | WO | disclosed |
| WO-2005052032-A1 | NOVEL DENDRITIC POLYMERS HAVING MONOPHOSPHONIC TERMINATIONS, METHOD FOR PREPARING THEM, AND THEIR USE | RHODIA UK LIMITED (GB) | 2005-06-09 | — | — | WO | disclosed |
| EP-1181017-A1 | METALLOPROTEASE INHIBITORS | Pfizer Limited (GB) | 2002-02-27 | — | — | EP | disclosed |
| WO-2000074681-A1 | METALLOPROTEASE INHIBITORS | PFIZER LIMITED (GB) | 2000-12-14 | — | — | WO | disclosed |
| US-5405550-A | Molecular building beams, liquid crystals and surfactants | Michl, Josef (US) | 1995-04-11 | — | — | US | disclosed |
| EP-0233441-A1 | New enzyme inhibitor | Astra Läkemedel Aktiebolag (SE) | 1987-08-26 | — | — | EP | disclosed |
| WO-1987003877-A1 | NEW ANHYDROOCTONIC ACID, METHODS FOR ITS PREPARATION, PHARMACEUTICAL PREPARATION CONTAINING THE ACID AND INTERMEDIATES | Astra Läkemedel Aktiebolag (SE) | 1987-07-02 | — | — | WO | disclosed |
| US-4594094-A | Oxacycloalkane-alpha-(thio)carboxylic acid derivatives and use as plant growth regulators and herbicides | SHELL OIL COMPANY (US) | 1986-06-10 | — | — | US | disclosed |
| US-4051261-A | HYPOLIPIDEMIC, ANTIDIABETIC | SANDOZ, INC. (US) | 1977-09-27 | — | — | US | disclosed |
| US-3953525-A | α-Substituted-4-(2,2-dimethyl-1-hydroxypropyl)benzyl alcohols and esters | SANDOZ, INC. (US) | 1976-04-27 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20200172896-A1 | EVOLUTION OF BIOACTIVE SEQUENCE-DEFINED SYNTHETIC POLYMERS USING DNA-TEMPLATED POLYMERIZATION | PCSK9, IL6, PCSK6 | THRB 3617/4885MEN1 1639/4885TSHR 3346/4885 |
| US-20160255833-A1 | PLANT VOLATILES | WAPL, SAP30BP, AP3S1 | THRB 1450/4885MEN1 4440/4885TSHR 3532/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.