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 | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.69 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.69 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.69 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.68 |
| ▸ | LMNA | P02545 | 1/20 | 0.68 |
| ▸ | RAB9A | P51151 | 1/20 | 0.68 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.67 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.66 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.66 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.66 |
| ▸ | HPGD | P15428 | 1/20 | 0.65 |
| ▸ | TP53 | P04637 | 1/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | RECQL | P46063 | 1/20 | 0.62 |
| ▸ | PPARG | P37231 | 1/20 | 0.61 |
| ▸ | MITF | O75030 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL457082 | 0.92 | HDAC6 (0.79) | HDAC6HDAC2HDAC8HDAC1LMNA | |
| Propionic Acid SCHEMBL28207638 | 0.91 | HDAC6 (0.67) | HDAC6HDAC2HDAC8HDAC1LMNA | |
| SCHEMBL29184442 | 0.90 | HDAC6 (0.76) | HDAC6HDAC2HDAC8HDAC1LMNA | |
| Hydrochloric Acid SCHEMBL3757721 | 0.90 | HDAC6 (0.76) | HDAC6HDAC2HDAC8HDAC1LMNA | |
| SCHEMBL11900090 | 0.88 | HDAC6 (0.85) | HDAC6HDAC2HDAC8HDAC1LMNA | |
| SCHEMBL29151912 | 0.87 | HDAC6 (0.71) | HDAC6HDAC2HDAC8HDAC1LMNA | |
| SCHEMBL10076233 | 0.86 | HDAC6 (0.70) | HDAC6HDAC2HDAC8HDAC1LMNA | |
| SCHEMBL2777733 | 0.85 | HDAC6 (0.72) | HDAC6HDAC2HDAC8HDAC1LMNA | |
| SCHEMBL8379620 | 0.85 | HPGD (0.56) | HDAC6HDAC2HDAC8HDAC1LMNA | |
| SCHEMBL9302673 | 0.84 | MAPK14 (0.75) | HDAC6HDAC2HDAC8HDAC1LMNA |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5767121-A | ANTIINFLAMMATORY AND -ARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; ADHESION PROTEIN EXPRESSION AND CYCLOXYGENASE AND 5-LIPOXYGENASE INHIBITORS; IMMUNOSUPPRESSANTS AND -MODULATORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-06-16 | — | — | US | disclosed |
| US-5561147-A | ANTIINFLAMMATORY AGENT, ANTIPYRETIC, ANALGESICS, ANTIALLERGENS, IMMUNOSUPPRESSANTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-10-01 | — | — | US | disclosed |
| EP-0522606-B1 | Pyridine derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1996-04-03 | — | — | EP | disclosed |
| US-5457106-A | Antiinflammatory agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-10-10 | — | — | US | disclosed |
| US-5389658-A | Administering as antipyretic, antiinflammatory, analgesic, antiallergic, or immunosupressive agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-02-14 | — | — | US | disclosed |
| EP-0612729-A2 | Pyridine derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1994-08-31 | — | — | EP | disclosed |
| US-5246948-A | Antiinflammatory, antipyretic, analgesic, antiallergic, immunosupressing or immunomodulating activity | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-09-21 | — | — | US | disclosed |
| EP-0522606-A2 | Pyridine derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-01-13 | — | — | EP | disclosed |