Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 12/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 11/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 11/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 11/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 10/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7800708 | 0.84 | ALOX5 (0.42) | CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL7812266 | 0.75 | KDM4E (0.38) | CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL7809825 | 0.75 | CYP2A6 (0.37) | CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL7805986 | 0.74 | CASP1 (0.39) | ALDH1A1KDM4EMAPTSMN1; SMN2 | |
| SCHEMBL6657577 | 0.73 | CYP2A6 (0.67) | CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL7809764 | 0.71 | GAA (0.35) | CYP3A4ALDH1A1TP53 | |
| SCHEMBL7805991 | 0.70 | ALDH1A1 (0.46) | CYP2D6CYP2B6CYP2C19CYP2E1CYP3A4 | |
| SCHEMBL7807386 | 0.70 | LOXL2 (0.38) | LOXL2 | |
| SCHEMBL7460692 | 0.70 | — | — | |
| SCHEMBL3338155 | 0.68 | CASP1 (0.46) | CYP3A4ALDH1A1MAPTSMN1; SMN2TP53 |
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 3 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 | 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 |