Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | DTYMK | P23919 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 5/20 | 0.42 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.39 |
| ▸ | SLC25A1 | P53007 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3291904 | 0.86 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2D6CYP2C19DTYMK | |
| SCHEMBL1478701 | 0.86 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2D6CYP2C19DTYMK | |
| SCHEMBL12603011 | 0.85 | GPR35 (0.53) | ALDH1A1CYP1A2CYP2D6CYP2C19DTYMK | |
| SCHEMBL29891185 | 0.81 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2D6CYP2C19DTYMK | |
| SCHEMBL27081346 | 0.81 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2D6CYP2C19DTYMK | |
| SCHEMBL10954250 | 0.81 | VCAM1 (0.55) | ALDH1A1CYP1A2CYP2C19CDK2TSHR | |
| SCHEMBL29886620 | 0.81 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2D6CYP2C19DTYMK | |
| SCHEMBL11799475 | 0.79 | CASP6 (0.48) | ALDH1A1CYP1A2CYP2D6CYP2C19DTYMK | |
| SCHEMBL8744067 | 0.79 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL8063523 | 0.79 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP2D6CYP2C19DTYMK |
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-1016405-A2 | Arylating medicaments | Radopath Pharmaceuticals International Limited (GB) | 2000-07-05 | — | — | EP | claimed |
| EP-0700287-A1 | ARYLATING MEDICAMENTS | RADOPATH LIMITED (GB) | 1996-03-13 | — | — | EP | claimed |
| WO-1994027584-A2 | ARYLATING MEDICAMENTS | RADOPATH LIMITED (GB) | 1994-12-08 | — | — | WO | claimed |