Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.50 |
| ▸ | CASP1 | P29466 | 2/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PGR | P06401 | 2/20 | 0.37 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
| ▸ | CD44 | P16070 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7807397 | 0.98 | CYP2A6 (0.49) | CYP2A6CASP1PDE10AALDH1A1PGR | |
| SCHEMBL6871969 | 0.85 | CYP2A6 (0.50) | CYP2A6CASP1PDE10AALDH1A1PGR | |
| Hydrochloric Acid SCHEMBL6870947 | 0.84 | CYP2A6 (0.49) | CYP2A6CASP1PDE10AALDH1A1PGR | |
| SCHEMBL21052220 | 0.82 | CYP2A6 (0.47) | CYP2A6ALDH1A1PGRCYP3A4CYP2C19 | |
| SCHEMBL6136935 | 0.82 | PDE10A (0.55) | CYP2A6CASP1PDE10AALDH1A1PLA2G7 | |
| SCHEMBL5704897 | 0.80 | CASP1 (0.52) | CYP2A6CASP1PDE10AALDH1A1CYP3A4 | |
| SCHEMBL7465490 | 0.78 | ALDH1A1 (0.47) | CYP2A6ALDH1A1CYP3A4TSHRCYP2C19 | |
| SCHEMBL7800830 | 0.78 | CYP3A4 (0.39) | CASP1ALDH1A1PGRPLA2G7CYP3A4 | |
| SCHEMBL7808766 | 0.77 | NEK2 (0.32) | CYP2A6CASP1ALDH1A1CYP3A4TSHR | |
| SCHEMBL7807456 | 0.77 | CHEK1 (0.33) | CYP2A6CASP1ALDH1A1CYP3A4TDP1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0943614-B1 | Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives | WELLA AG (DE) | 2001-12-12 | — | — | EP | claimed |
| US-6042620-A | FOR DYEING KERATIN FIBERS SUCH AS HAIR | WELLA AG (DE) | 2000-03-28 | — | — | US | claimed |
| EP-0943614-A2 | Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives | Wella Aktiengesellschaft (DE) | 1999-09-22 | — | — | EP | claimed |
| EP-0943614-B1 | Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives | WELLA AG (DE) | 2001-12-12 | — | — | EP | disclosed |
| US-6042620-A | FOR DYEING KERATIN FIBERS SUCH AS HAIR | WELLA AG (DE) | 2000-03-28 | — | — | US | disclosed |
| EP-0943614-A2 | Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives | Wella Aktiengesellschaft (DE) | 1999-09-22 | — | — | EP | disclosed |