Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Hexane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | MGAM | O43451 | 1/20 | 0.48 |
| ▸ | SI | P14410 | 1/20 | 0.48 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NAAA | Q02083 | 1/20 | 0.39 |
| ▸ | DGKA | P23743 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 3/20 | 0.39 |
| ▸ | LTA4H | P09960 | 3/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL262185 | 0.92 | GAA (0.56) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL1838345 | 0.89 | — | — | |
| Methylene Chloride SCHEMBL6622278 | 0.86 | GAA (0.50) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL391332 | 0.85 | GAA (0.65) | GAAMGAMSIMGAM2ALDH1A1 | |
| Water SCHEMBL8464737 | 0.85 | LTA4H (0.50) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL15399532 | 0.85 | NAAA (0.60) | GAANAAADGKAFAAHLTA4H | |
| SCHEMBL285776 | 0.84 | LTA4H (0.50) | GAAMGAMSIMGAM2ALDH1A1 | |
| Ethyl Acetate SCHEMBL3485430 | 0.84 | ALDH1A1 (0.56) | GAAMGAMSIMGAM2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL27917473 | 0.83 | GAA (0.62) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL28234269 | 0.83 | GAA (0.62) | GAAMGAMSIMGAM2ALDH1A1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1181299-B1 | C-2 MODIFIED ERYTHROMYCIN DERIVATIVES | ABBOTT LAB (US) | 2008-06-18 | — | — | EP | disclosed |
| EP-1259923-B1 | ANTI-INFECTIVE AGENTS USEFUL AGAINST MULITIDRUG-RESISTANT STRAINS OF BACTERIA | ABBOTT LAB (US) | 2005-12-14 | — | — | EP | disclosed |
| US-6946446-B2 | Anti-infective agents useful against multidrug-resistant strains of bacteria | ABBOTT LABORATORIES (US) | 2005-09-20 | — | — | US | disclosed |
| US-20020193320-A1 | C-2 modified erythromycin derivatives | ABBOTT LABORATORIES | 2002-12-19 | — | — | US | disclosed |
| EP-1259923-A2 | ANTI-INFECTIVE AGENTS USEFUL AGAINST MULITIDRUG-RESISTANT STRAINS OF BACTERIA | ABBOTT LABORATORIES (US) | 2002-11-27 | — | — | EP | disclosed |
| US-6355620-B1 | ANTIBIOTIC ERYTHROMYCIN DERIVATIVES | ABBOTT LABORATORIES | 2002-03-12 | — | — | US | disclosed |
| EP-1181299-A1 | C-2 MODIFIED ERYTHROMYCIN DERIVATIVES | Abbott Laboratories (US) | 2002-02-27 | — | — | EP | disclosed |
| WO-2000069875-A9 | C-2 MODIFIED ERYTHROMYCIN DERIVATIVES | ABBOTT LAB (US) | 2002-02-21 | — | — | WO | disclosed |
| US-20020019355-A1 | Anti-infective agents useful against multidrug-resistant strains of bacteria | ABBVIE INC. | 2002-02-14 | — | — | US | disclosed |
| WO-2001063539-A2 | ANTI-INFECTIVE AGENTS USEFUL AGAINST MULTIDRUG-RESISTANT STRAINS OF BACTERIA | ABBOTT LABORATORIES (US) | 2001-08-30 | — | — | WO | disclosed |
| WO-2000069875-A1 | C-2 MODIFIED ERYTHROMYCIN DERIVATIVES | ABBOTT LABORATORIES (US) | 2000-11-23 | — | — | WO | disclosed |
| EP-0102034-B1 | SPIRO(2H-1,4-BENZODIOXEPIN-3(5H)4'-PIPERIDINE AND 3'-PYRROLIDINO) COMPOUNDS, A PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1988-04-20 | — | — | EP | disclosed |
| US-4521537-A | ANALGESICS | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1985-06-04 | — | — | US | disclosed |
| EP-0102034-A1 | Spiro(2H-1,4-benzodioxepin-3(5H)4'-piperidine and 3'-pyrrolidino) compounds, a process for preparing the same and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1984-03-07 | — | — | EP | 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-20020019355-A1 | Anti-infective agents useful against multidrug-resistant strains of bacteria | MMP8, CLPP, MRPL21 | MEN1 4615/4885GAA 191/4885MGAM 30/4885 |
| US-20020193320-A1 | C-2 modified erythromycin derivatives | CYP2D6, CYP1A2, CYP2B6 | MEN1 3451/4885GAA 1227/4885MGAM 75/4885 |
“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.