Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.38 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.36 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.36 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.36 |
| ▸ | GABRB1 known ✓ | P18505 | 1/20 | 0.36 |
| ▸ | GABRG2 known ✓ | P18507 | 1/20 | 0.36 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.36 |
| ▸ | GABRB3 known ✓ | P28472 | 1/20 | 0.36 |
| ▸ | GABRA5 known ✓ | P31644 | 1/20 | 0.36 |
| ▸ | GABRA3 known ✓ | P34903 | 1/20 | 0.36 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.36 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.36 |
| ▸ | GABRA4 known ✓ | P48169 | 1/20 | 0.36 |
| ▸ | GABRA6 known ✓ | Q16445 | 1/20 | 0.36 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.36 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11344007 | 0.89 | THRB (0.44) | THRBNR4A1CYP3A4TSHRCA2 | |
| SCHEMBL7786711 | 0.83 | NR4A1 (0.34) | THRBNR4A1CYP3A4TSHRCA2 | |
| SCHEMBL29385780 | 0.82 | THRB (0.47) | THRBNR4A1CYP3A4TSHRCA2 | |
| SCHEMBL6690494 | 0.82 | THRB (0.47) | THRBNR4A1CYP3A4TSHRCA2 | |
| SCHEMBL127422 | 0.82 | THRB (0.47) | THRBNR4A1CYP3A4TSHRCA2 | |
| SCHEMBL27656927 | 0.81 | CA1 (0.44) | CA2CA1CA9MEN1KMT2A | |
| SCHEMBL67965 | 0.81 | HSD11B1 (0.46) | CYP3A4TSHRCA2HPGDCA1 | |
| SCHEMBL29615335 | 0.81 | HSD11B1 (0.46) | CYP3A4TSHRCA2HPGDCA1 | |
| SCHEMBL30130401 | 0.81 | HSD11B1 (0.46) | CYP3A4TSHRCA2HPGDCA1 | |
| SCHEMBL9109689 | 0.81 | HSD11B1 (0.46) | CYP3A4TSHRCA2HPGDCA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070190094-A1 | PESTICIDAL COMPOSITIONS CONTAINING ISOPROPYL-CONTAINING COMPOUNDS AS PESTICIDALLY ACTIVE INGREDIENTS | ECOSMART TECHNOLOGIES, INC. (US) | 2007-08-16 | — | — | US | disclosed |
| US-20070098750-A1 | PESTICIDAL COMPOSITIONS CONTAINING ISOPROPYL MYRISTATE AND ANALOGS OF SAME AS A SYNERGIST FOR PLANT ESSENTIAL OILS | ECOSMART TECHNOLOGIES, INC. (US) | 2007-05-03 | — | — | 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-20070098750-A1 | PESTICIDAL COMPOSITIONS CONTAINING ISOPROPYL MYRISTATE AND ANALOGS OF SAME AS A SYNERGIST FOR PLANT ESSENTIAL OILS | NOTUM, SCD, SOAT2 | THRB 1228/4885CA2 2901/4885CA1 2792/4885 |
| US-20070190094-A1 | PESTICIDAL COMPOSITIONS CONTAINING ISOPROPYL-CONTAINING COMPOUNDS AS PESTICIDALLY ACTIVE INGREDIENTS | ACHE, DDT, ITPA | THRB 1156/4885CA2 2211/4885CA1 2512/4885 |
“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.