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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | VHL | P40337 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5068498 | 0.87 | — | — | |
| SCHEMBL104484 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL7929804 | 0.85 | — | — | |
| SCHEMBL26113810 | 0.85 | — | — | |
| Bromide SCHEMBL4252746 | 0.85 | — | — | |
| Benzene SCHEMBL27628092 | 0.80 | KDM4E (0.46) | KDM4EPKMMEN1ALDH1A1LMNA | |
| Alcohol SCHEMBL28235712 | 0.79 | KDM4E (0.42) | KDM4EPKMMEN1ALDH1A1LMNA | |
| Formic Acid SCHEMBL27872986 | 0.79 | KDM4E (0.47) | KDM4EPKMMEN1ALDH1A1LMNA | |
| SCHEMBL858586 | 0.71 | — | — | |
| SCHEMBL5978656 | 0.71 | ALDH1A1 (0.67) | KDM4EPKMMEN1ALDH1A1LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5545835-A | CHEMICAL INTERMEDIATES FOR PREPARATION OF SUBSTITUTED 2,3-PYRIDINEDICARBOXYLIC ACIDS | AMERICAN CYANAMID COMPANY (US) | 1996-08-13 | — | — | US | disclosed |
| US-5378843-A | Halogenation, quaternization | AMERICAN CYANAMID COMPANY (US) | 1995-01-03 | — | — | US | disclosed |
| US-5288866-A | Chemical intermediates in the preparation of purity herbicides | AMERICAN CYANAMID COMPANY (US) | 1994-02-22 | — | — | US | disclosed |