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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 12/20 | 0.87 |
| ▸ | TACR1 | P25103 | 12/20 | 0.87 |
| ▸ | TACR3 | P29371 | 1/20 | 0.87 |
| ▸ | HRH1 | P35367 | 1/20 | 0.87 |
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 | |
|---|---|---|---|---|
| SCHEMBL8640461 | 0.93 | TACR2 (0.89) | TACR2TACR1TACR3HRH1 | |
| SCHEMBL4208412 | 0.93 | TACR2 (1.00) | TACR2TACR1TACR3HRH1 | |
| SCHEMBL4208407 | 0.93 | TACR2 (1.00) | TACR2TACR1TACR3HRH1 | |
| SCHEMBL4208415 | 0.93 | TACR2 (1.00) | TACR2TACR1TACR3HRH1 | |
| SCHEMBL8509737 | 0.93 | TACR2 (1.00) | TACR2TACR1TACR3HRH1 | |
| Hydrochloric Acid SCHEMBL15798575 | 0.93 | TACR2 (0.98) | TACR2TACR1TACR3HRH1 | |
| Hydrochloric Acid SCHEMBL7465619 | 0.93 | TACR2 (0.98) | TACR2TACR1TACR3HRH1 | |
| Hydrochloric Acid SCHEMBL29404822 | 0.93 | TACR2 (0.98) | TACR2TACR1TACR3HRH1 | |
| SCHEMBL8636309 | 0.92 | TACR2 (0.89) | TACR2TACR1TACR3HRH1 | |
| Hydrochloric Acid SCHEMBL4354212 | 0.92 | TACR2 (0.97) | TACR2TACR1TACR3HRH1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5635510-A | TACHYKININ (ESPECIALLY SUBSTANCE P AND NEUROKININ A) ANTAGONISTS; ANTIINFLAMMATORY AGENTS, ANALGESICS; NERVOUS SYSTEM DISORDERS; BRONCHODILATOR AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1997-06-03 | — | — | US | claimed |
| US-5661160-A | ADMINISTERING AN ANTITUSSIVE AGENT FOR TREATING COUGH; TACHYKININ ANTAGONISM, SUBSTANCE P AND NEUROKININ A ANTAGONISM | MERRELL PHARMACEUTICALS INC. (US) | 1997-08-26 | — | — | US | disclosed |
| US-5648366-A | TACHYKININ ANTAGONISTS USEFUL IN TREATING ASTHMA | MERRELL PHARMACEUTICALS INC. (US) | 1997-07-15 | — | — | US | disclosed |
| US-5635510-A | TACHYKININ (ESPECIALLY SUBSTANCE P AND NEUROKININ A) ANTAGONISTS; ANTIINFLAMMATORY AGENTS, ANALGESICS; NERVOUS SYSTEM DISORDERS; BRONCHODILATOR AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1997-06-03 | — | — | US | disclosed |