Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Alcohol. 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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.86 |
| ▸ | GABRP | O00591 | 2/20 | 0.50 |
| ▸ | GABRD | O14764 | 2/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.50 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.50 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.50 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.50 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.50 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.50 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.50 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.50 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.50 |
| ▸ | GABRE | P78334 | 2/20 | 0.50 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.50 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.50 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.50 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.50 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.50 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.47 |
| ▸ | TET2 | Q6N021 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28750 | 0.93 | CYP1A2 (1.00) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL7321898 | 0.93 | CYP1A2 (1.00) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL791764 | 0.93 | CYP1A2 (1.00) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| Ethylene Glycol SCHEMBL28888050 | 0.91 | CYP1A2 (0.86) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL10883495 | 0.90 | CYP1A2 (0.95) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL6737627 | 0.90 | CYP1A2 (0.95) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| Methane SCHEMBL28098974 | 0.90 | CYP1A2 (0.95) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL10882526 | 0.90 | CYP1A2 (0.95) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| Ammonia Solution, Strong SCHEMBL1023860 | 0.90 | CYP1A2 (0.95) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| Water SCHEMBL14109081 | 0.88 | CYP1A2 (0.90) | CYP1A2GABRPGABRDGABRA1GABRB1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6734320-B2 | OIL ADDITIVE | E. I. DU PONT DE NEMOURS AND COMPANY | 2004-05-11 | — | — | US | disclosed |
| US-20020173433-A1 | Non-symmetric, partially fluorinated lubricant additives | BEATTY RICHARD P (US) | 2002-11-21 | — | — | US | disclosed |
| US-6413918-B1 | MIXTURE CONTAINING FLUORINATED ESTER | E. I. DU PONT DE NEMOURS AND COMPANY | 2002-07-02 | — | — | US | disclosed |
| EP-1173533-A1 | NON-SYMMETRIC, PARTIALLY FLUORINATED LUBRICANT ADDITIVES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2002-01-23 | — | — | EP | disclosed |
| WO-2000065002-A1 | NON-SYMMETRIC, PARTIALLY FLUORINATED LUBRICANT ADDITIVES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2000-11-02 | — | — | WO | disclosed |