Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CD44 | P16070 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 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 SCHEMBL8873600 | 0.98 | GAA (0.39) | CYP2C19CYP2D6GAAMEN1KMT2A | |
| SCHEMBL8874564 | 0.86 | CYP2C19 (0.39) | CYP2C19CYP2D6GAAMEN1KMT2A | |
| SCHEMBL9069744 | 0.84 | GAA (0.39) | CYP2C19CYP2D6GAAMEN1KMT2A | |
| SCHEMBL6261455 | 0.77 | MEN1 (0.45) | CYP2C19GAAMEN1KMT2AMAPK1 | |
| SCHEMBL8873875 | 0.77 | BMPR1B (0.39) | GAAMEN1KMT2AMAPK1TSHR | |
| SCHEMBL15513377 | 0.77 | MAPK1 (0.43) | CYP2C19CYP2D6GAAMEN1KMT2A | |
| SCHEMBL11760633 | 0.74 | ALDH1A1 (0.38) | CYP2C19GAAMEN1KMT2AMAPK1 | |
| SCHEMBL8874779 | 0.74 | POLB (0.40) | CYP2D6GAAMEN1KMT2AMAPK1 | |
| SCHEMBL11097962 | 0.74 | CYP2D6 (0.43) | CYP2C19CYP2D6GAAKMT2APOLB | |
| SCHEMBL10364119 | 0.74 | RET (0.37) | CYP2C19CYP2D6GAAMEN1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5645610-A | COUPLER, DEVELOPER | WELLA AKTIENGESELLSCHAFT (DE) | 1997-07-08 | — | — | US | claimed |
| EP-0687669-A1 | Hair dyeing compositions and new 2-alkylamino-4-amino-1-alkylbenzenes | Wella Aktiengesellschaft (DE) | 1995-12-20 | — | — | EP | claimed |
| US-5645610-A | COUPLER, DEVELOPER | WELLA AKTIENGESELLSCHAFT (DE) | 1997-07-08 | — | — | US | disclosed |
| US-5645610-A | COUPLER, DEVELOPER | WELLA AKTIENGESELLSCHAFT (DE) | 1997-07-08 | — | — | US | disclosed |
| EP-0687669-A1 | Hair dyeing compositions and new 2-alkylamino-4-amino-1-alkylbenzenes | Wella Aktiengesellschaft (DE) | 1995-12-20 | — | — | EP | disclosed |