Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | NAAA | Q02083 | 2/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3221849 | 0.88 | KAT8 (0.43) | KAT8HSP90AA1HSP90AB1NAAANR1I2 | |
| SCHEMBL27374196 | 0.86 | KAT8 (0.57) | KAT8HSP90AA1HSP90AB1NAAACA1 | |
| SCHEMBL3227231 | 0.86 | KAT8 (0.57) | KAT8HSP90AA1HSP90AB1NAAACA1 | |
| SCHEMBL3213862 | 0.85 | KAT8 (0.56) | KAT8HSP90AA1HSP90AB1NAAACA1 | |
| SCHEMBL11329901 | 0.84 | NAAA (0.52) | KAT8HSP90AA1HSP90AB1NAAA | |
| SCHEMBL11312242 | 0.84 | NAAA (0.52) | KAT8HSP90AA1HSP90AB1NAAA | |
| SCHEMBL23920298 | 0.78 | HSD17B10 (0.46) | USP2ALDH1A1GAAPKMHPGD | |
| SCHEMBL1836601 | 0.77 | USP2 (0.42) | GPR84NR1I2USP2ALDH1A1GAA | |
| SCHEMBL24592686 | 0.77 | ESR1 (0.46) | GPR84USP2ALDH1A1GAAPKM | |
| SCHEMBL11781156 | 0.77 | USP2 (0.42) | GPR84NR1I2USP2ALDH1A1GAA |
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-8404627-B2 | Detergent comprising C10 to C40 hydrocarbyl substituted hydroxybenzoates for reducing asphaltene precipitation | INFINEUM INTERNATIONAL LIMITED (GB) | 2013-03-26 | — | — | US | disclosed |
| US-20100062958-A1 | Detergent | INFINEUM INTERNATIONAL LIMITED (GB) | 2010-03-11 | — | — | 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 (1 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-20100062958-A1 | Detergent | HDHD5, DSG1, HSD17B10 | KAT8 672/4885HSP90AA1 3257/4885HSP90AB1 2299/4885 |
“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.