Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of P-Cresol. 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 | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 7/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | LPL | P06858 | 1/20 | 0.43 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.43 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.43 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.43 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.43 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| P-Cresol SCHEMBL8157029 | 0.93 | ACHE (0.57) | ACHETDP1CA2LPLLIPG | |
| P-Cresol SCHEMBL1229546 | 0.93 | ACHE (0.57) | ACHETDP1CA2LPLLIPG | |
| P-Cresol SCHEMBL585061 | 0.93 | — | — | |
| P-Cresol SCHEMBL10728842 | 0.93 | ACHE (0.57) | ACHETDP1CA2LPLLIPG | |
| P-Cresol SCHEMBL585475 | 0.93 | — | — | |
| P-Cresol SCHEMBL1229426 | 0.93 | ACHE (0.57) | ACHETDP1CA2LPLLIPG | |
| P-Cresol SCHEMBL1228560 | 0.93 | ACHE (0.57) | ACHETDP1CA2LPLLIPG | |
| P-Cresol SCHEMBL585229 | 0.93 | — | — | |
| P-Cresol SCHEMBL8423863 | 0.93 | ACHE (0.57) | ACHETDP1CA2LPLLIPG | |
| P-Cresol SCHEMBL6039896 | 0.90 | ACHE (0.53) | ACHETDP1CA2LPLLIPG |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7087549-B2 | Calcium-based catalyst system | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 2006-08-08 | — | — | US | claimed |
| US-20050181935-A1 | Calcium-based catalyst system | THE GOODYEAR TIRE & RUBBER COMPANY | 2005-08-18 | — | — | US | claimed |
| EP-0990670-B1 | Calcium-based catalyst system | GOODYEAR TIRE & RUBBER (US) | 2004-11-03 | — | — | EP | claimed |
| US-20020045720-A1 | Calcium-based catalyst system | THE GOODYEAR TIRE & RUBBER COMPANY | 2002-04-18 | — | — | US | claimed |
| US-6359088-B1 | COPOLYMERIZING STYRENE AND 1,3-BUTADIENE IN AN ORGANIC SOLVENT IN THE PRESENCE OF CATALYST SYSTEM WHICH CONSISTS ESSENTIALLY OF AN ORGANOLITHIUM COMPOUND, A CALCIUM ALKOXIDE AND A LITHIUM ALKOXIDE | THE GOODYEAR TIRE & RUBBER COMPANY | 2002-03-19 | — | — | US | claimed |
| EP-0990670-A1 | Calcium-based catalyst system | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 2000-04-05 | — | — | EP | claimed |
| US-7087549-B2 | Calcium-based catalyst system | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 2006-08-08 | — | — | US | disclosed |
| US-20050181935-A1 | Calcium-based catalyst system | THE GOODYEAR TIRE & RUBBER COMPANY | 2005-08-18 | — | — | US | disclosed |
| EP-0990670-B1 | Calcium-based catalyst system | GOODYEAR TIRE & RUBBER (US) | 2004-11-03 | — | — | EP | disclosed |
| US-20020045720-A1 | Calcium-based catalyst system | THE GOODYEAR TIRE & RUBBER COMPANY | 2002-04-18 | — | — | US | disclosed |
| US-6359088-B1 | COPOLYMERIZING STYRENE AND 1,3-BUTADIENE IN AN ORGANIC SOLVENT IN THE PRESENCE OF CATALYST SYSTEM WHICH CONSISTS ESSENTIALLY OF AN ORGANOLITHIUM COMPOUND, A CALCIUM ALKOXIDE AND A LITHIUM ALKOXIDE | THE GOODYEAR TIRE & RUBBER COMPANY | 2002-03-19 | — | — | US | disclosed |
| EP-0990670-A1 | Calcium-based catalyst system | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 2000-04-05 | — | — | EP | disclosed |