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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.39 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | FPR2 | P25090 | 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 | |
|---|---|---|---|---|
| SCHEMBL1758893 | 0.79 | ALDH1A1 (0.55) | TRPA1PTGS2MAPT | |
| SCHEMBL4630831 | 0.79 | ALDH1A1 (0.55) | TRPA1PTGS2MAPT | |
| Benzene SCHEMBL29206291 | 0.79 | LTA4H (0.57) | LTA4HRAB9ANPC1TDP1MEN1 | |
| SCHEMBL5078610 | 0.75 | TSHR (0.50) | TRPA1MEN1KMT2A | |
| SCHEMBL77472 | 0.75 | TAAR1 (0.61) | CALM1SIGMAR1 | |
| SCHEMBL295401 | 0.75 | TSHR (0.50) | TRPA1MEN1KMT2A | |
| SCHEMBL295402 | 0.75 | TSHR (0.50) | TRPA1MEN1KMT2A | |
| SCHEMBL31497794 | 0.74 | TAAR1 (0.59) | CALM1SIGMAR1 | |
| Anethole SCHEMBL21055945 | 0.73 | ALDH1A1 (0.62) | TRPA1LTA4HRAB9ANPC1MAPT | |
| Anethole SCHEMBL21055944 | 0.73 | ALDH1A1 (0.62) | TRPA1LTA4HRAB9ANPC1MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996026933-A9 | NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES | — | 1996-11-28 | — | — | WO | disclosed |