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 | |
|---|---|---|---|---|
| ▸ | KDM4C | Q9H3R0 | 19/20 | 0.53 |
| ▸ | KDM6B | O15054 | 7/20 | 0.53 |
| ▸ | KDM4D | Q6B0I6 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | KDM4A | O75164 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29822292 | 0.90 | KDM4C (0.61) | KDM4CKDM6BKDM4DKDM4EKDM4A | |
| SCHEMBL2562774 | 0.90 | KDM4C (0.61) | KDM4CKDM6BKDM4DKDM4EKDM4A | |
| Hydrochloric Acid SCHEMBL28052605 | 0.88 | KDM4C (0.59) | KDM4CKDM6BKDM4DKDM4EKDM4A | |
| Nitrous Acid SCHEMBL27636084 | 0.83 | KDM4C (0.53) | KDM4CKDM6BKDM4DKDM4EKDM4A | |
| Alcohol SCHEMBL28974265 | 0.77 | KDM4C (0.49) | KDM4CKDM6BKDM4DKDM4EKDM4A | |
| SCHEMBL115648 | 0.77 | KDM4C (0.56) | KDM4CKDM6BKDM4DKDM4EKDM4A | |
| SCHEMBL30100781 | 0.77 | KDM4C (0.56) | KDM4CKDM6BKDM4DKDM4EKDM4A | |
| SCHEMBL1798009 | 0.76 | P2RX1 (0.47) | KDM4CKDM6BKDM4DKDM4EKDM4A | |
| SCHEMBL28255112 | 0.76 | KDM4C (0.47) | KDM4CKDM6BKDM4DKDM4EKDM4A | |
| Hydrochloric Acid SCHEMBL1026385 | 0.76 | KDM4C (0.54) | KDM4CKDM6BKDM4DKDM4EKDM4A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115850349-B | Metal complex catalyst and application thereof in preparation of 1,2, 3-pentamethylindane | 山东新和成药业有限公司 | 2023-05-05 | — | — | CN | disclosed |
| CN-115850349-A | Metal complex catalyst and application thereof in preparation of 1,2, 3-pentamethyl indane | 山东新和成药业有限公司 | 2023-03-28 | — | — | CN | disclosed |