Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | STS | P08842 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TRPM8 | Q7Z2W7 | 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 | |
|---|---|---|---|---|
| SCHEMBL6848401 | 0.93 | ALDH1A1 (0.35) | ALDH1A1CYP2A6STSKDM4ESMN1; SMN2 | |
| SCHEMBL6847274 | 0.91 | CYP2A6 (0.35) | ALDH1A1CYP2A6STSKDM4ESMN1; SMN2 | |
| SCHEMBL6848030 | 0.86 | ALDH1A1 (0.33) | ALDH1A1CYP2A6KDM4E | |
| SCHEMBL6843072 | 0.78 | CYP2A6 (0.32) | ALDH1A1CYP2A6STSKDM4ESMN1; SMN2 | |
| SCHEMBL6843056 | 0.68 | USP2 (0.38) | ALDH1A1STSKDM4ESMN1; SMN2 | |
| SCHEMBL4626490 | 0.67 | CYP2A6 (0.39) | ALDH1A1CYP2A6KDM4ESMN1; SMN2 | |
| SCHEMBL4720667 | 0.67 | ALDH1A1 (0.41) | ALDH1A1CYP2A6KDM4ESMN1; SMN2 | |
| SCHEMBL4830852 | 0.66 | ALDH1A1 (0.42) | ALDH1A1CYP2A6STSKDM4E | |
| SCHEMBL2780056 | 0.64 | HDAC8 (0.41) | ALDH1A1CYP2A6STSKDM4ESMN1; SMN2 | |
| SCHEMBL852463 | 0.63 | USP2 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1139990-B1 | AGENT FOR DYING KERATIN FIBERS | HENKEL KGAA (DE) | 2004-05-06 | — | — | EP | claimed |
| EP-1139990-B1 | AGENT FOR DYING KERATIN FIBERS | HENKEL KGAA (DE) | 2004-05-06 | — | — | EP | disclosed |