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 | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.41 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.41 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.41 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.40 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.40 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.40 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.40 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.40 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL28181708 | 1.00 | KCNH2 (0.50) | KCNH2EPHX1KDM1AGNAI3GNAO1 | |
| SCHEMBL1749149 | 0.90 | — | — | |
| SCHEMBL512691 | 0.90 | — | — | |
| SCHEMBL184265 | 0.90 | — | — | |
| Chloromethane SCHEMBL28643384 | 0.89 | EPHX1 (0.47) | KCNH2EPHX1KDM1AGNAI3GNAO1 | |
| Hydrochloric Acid SCHEMBL25290971 | 0.88 | EPHX1 (0.50) | KCNH2EPHX1KDM1AGNAI3GNAO1 | |
| Hydrochloric Acid SCHEMBL15589725 | 0.88 | EPHX1 (0.50) | KCNH2EPHX1KDM1AGNAI3GNAO1 | |
| Hydrochloric Acid SCHEMBL23778361 | 0.88 | EPHX1 (0.50) | KCNH2EPHX1KDM1AGNAI3GNAO1 | |
| Oxalic Acid SCHEMBL4205677 | 0.86 | EPHX1 (0.48) | KCNH2EPHX1KDM1ASLC6A1GABRA5 | |
| SCHEMBL28797537 | 0.86 | EPHX1 (0.54) | KCNH2EPHX1KDM1AGNAI3GNAO1 |
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-107207553-A | BCL-XL-inhibitory compounds and antibody drug conjugates including the same | 艾伯维公司 | 2017-09-26 | — | — | CN | disclosed |