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 | |
|---|---|---|---|---|
| ▸ | MMP1 known ✓ | P03956 | 1/20 | 0.44 |
| ▸ | MMP8 known ✓ | P22894 | 1/20 | 0.44 |
| ▸ | MMP13 known ✓ | P45452 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 4/20 | 0.53 |
| ▸ | CA2 | P00918 | 4/20 | 0.53 |
| ▸ | CA9 | Q16790 | 3/20 | 0.53 |
| ▸ | PKM | P14618 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | APLNR | P35414 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14015361 | 0.92 | CA1 (0.61) | CA1CA2CA9PKMALDH1A1 | |
| Alcohol SCHEMBL28148571 | 0.82 | CA1 (0.48) | CA1CA2CA9ALDH1A1GAA | |
| 1,4-Dimethoxybenzene SCHEMBL28544369 | 0.80 | CA1 (0.69) | CA1CA2CA9ALDH1A1GAA | |
| SCHEMBL7910581 | 0.80 | GLA (0.53) | CA1CA2CA9GAAGLA | |
| Ammonia Solution, Strong SCHEMBL2908474 | 0.78 | GLA (0.52) | CA1CA2CA9GAAGLA | |
| SCHEMBL236312 | 0.78 | SMN1; SMN2 (0.47) | CA2ALDH1A1GAAGLALMNA | |
| Ethylene Glycol SCHEMBL27465849 | 0.77 | SMN1; SMN2 (0.43) | CA2ALDH1A1GAAGLALMNA | |
| SCHEMBL27622145 | 0.77 | CA2 (0.59) | CA1CA2CA9PKMALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL9821317 | 0.76 | SMN1; SMN2 (0.50) | CA2ALDH1A1GAAGLALMNA | |
| Anisaldehyde SCHEMBL6910607 | 0.76 | ALDH1A1 (0.68) | PKMALDH1A1LMNASMN1; SMN2TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114040986-A | Method of diagnosing disease | 4D制药科克有限公司 | 2022-02-11 | — | — | CN | disclosed |