Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.31 |
| ▸ | CDK9 | P50750 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14857485 | 0.93 | CYP2A6 (0.35) | CYP2A6KDM4ECYP3A4CYP2D6CYP2C9 | |
| SCHEMBL30536506 | 0.74 | MEN1 (0.36) | — | |
| SCHEMBL19038906 | 0.74 | MEN1 (0.36) | — | |
| SCHEMBL11576119 | 0.69 | CYP2A6 (0.38) | CYP2A6KDM4ECYP3A4CYP2D6CYP2C9 | |
| SCHEMBL23303231 | 0.69 | GAA (0.47) | CYP2A6KDM4ECYP3A4CYP2D6CYP2C9 | |
| SCHEMBL18527086 | 0.68 | DYRK1A (0.39) | CYP2A6KDM4ECYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2149910 | 0.67 | CYP2A6 (0.54) | CYP2A6KDM4ECYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6952322 | 0.66 | CYP2A6 (0.41) | CYP2A6KDM4ECYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6947277 | 0.66 | CYP2A6 (0.41) | CYP2A6KDM4ECYP3A4CYP2D6CYP2C9 | |
| SCHEMBL18527288 | 0.66 | CYP2A6 (0.41) | CYP2A6KDM4ECYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-5429774-A | FOR USE IN PHOTOCHROMIC ARTICLES | TRANSITIONS OPTICAL, INC. (US) | 1995-07-04 | — | — | US | disclosed |