Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.32 |
| ▸ | PRNP | P04156 | 2/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.32 |
| ▸ | HTR1A | P08908 | 2/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.32 |
| ▸ | DRD1 | P21728 | 2/20 | 0.32 |
| ▸ | DRD4 | P21917 | 2/20 | 0.32 |
| ▸ | DRD5 | P21918 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6068802 | 0.86 | CYP2D6 (0.33) | CYP2D6KCNH2CYP1A2LMNAMAPT | |
| SCHEMBL6068794 | 0.80 | KCNH2 (0.33) | KCNH2CYP1A2MCHR1TERT | |
| SCHEMBL5416781 | 0.79 | KDM4E (0.35) | CYP2D6KCNH2CYP1A2LMNAMAPT | |
| SCHEMBL6068599 | 0.78 | MAPT (0.31) | CYP2D6CYP1A2MAPT | |
| SCHEMBL5418831 | 0.75 | CYP2C9 (0.35) | CYP2C19 | |
| SCHEMBL5422207 | 0.74 | NOS3 (0.34) | CYP2D6LMNAMAPTHTR2AHRH1 | |
| SCHEMBL14445301 | 0.74 | RPS6KA5 (0.32) | CYP2D6ADRA1AHRH1TERT | |
| SCHEMBL14445294 | 0.73 | ALDH1A1 (0.37) | CYP2D6LMNAMAPTALDH1A1TP53 | |
| SCHEMBL5422084 | 0.73 | ALDH1A1 (0.37) | CYP2D6LMNAMAPTALDH1A1TP53 | |
| SCHEMBL6068644 | 0.72 | — | — |
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-7091350-B2 | Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres | L'OREAL (FR) | 2006-08-15 | — | — | US | disclosed |