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 | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.41 |
| ▸ | GMNN | O75496 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5099590 | 0.92 | SLC6A4 (0.54) | AOC3SLC6A2SLC6A3SLC6A4GMNN | |
| SCHEMBL28896863 | 0.82 | MEN1 (0.49) | AOC3SLC6A2SLC6A3SLC6A4TP53 | |
| SCHEMBL25343509 | 0.82 | SMO (0.53) | SLC6A2SLC6A3SLC6A4CYP2C19CNR2 | |
| SCHEMBL4058254 | 0.82 | PPARG (0.49) | AOC3SLC6A2SLC6A3SLC6A4CNR2 | |
| SCHEMBL31435843 | 0.79 | ESR1 (0.48) | TSHRNFKB1BLMESR1ESR2 | |
| SCHEMBL3930111 | 0.79 | LMNA (0.60) | AOC3SLC6A2SLC6A3SLC6A4CYP51A1 | |
| SCHEMBL868462 | 0.79 | LMNA (0.60) | AOC3SLC6A2SLC6A3SLC6A4CYP51A1 | |
| SCHEMBL2524180 | 0.79 | LMNA (0.60) | AOC3SLC6A2SLC6A3SLC6A4CYP51A1 | |
| SCHEMBL31435839 | 0.79 | TSHR (0.50) | TP53TSHRNFKB1BLMESR1 | |
| SCHEMBL14355860 | 0.78 | CYP19A1 (0.53) | AOC3SLC6A4CYP51A1CYP3A4CYP2C9 |
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-7365082-B2 | N-(substituted arylmethyl)-4-(disubstituted methyl)piperidines and piperazines | BAYER CROPSCIENCE AG (DE) | 2008-04-29 | — | — | US | disclosed |
| EP-1572668-A4 | N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL)PIPERIDINES AND PIPERAZINES | FMC CORP (US) | 2006-12-06 | — | — | EP | disclosed |
| US-20060166962-A1 | N-(substituted arylmethyl)-4-(disubstituted methyl)piperidines and piperazines | FMC CORPORATION | 2006-07-27 | — | — | US | disclosed |
| EP-1572668-A2 | N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL)PIPERIDINES AND PIPERAZINES | FMC CORPORATION (US) | 2005-09-14 | — | — | EP | disclosed |
| WO-2004060865-A2 | N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL)PIPERIDINES AND PIPERAZINES | FMC CORPORATION (US) | 2004-07-22 | — | — | WO | 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-20060166962-A1 | N-(substituted arylmethyl)-4-(disubstituted methyl)piperidines and piperazines | DDT, DRD4, DRD1 | AOC3 1505/4885SLC6A2 2165/4885SLC6A3 1361/4885 |
“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.