Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.59 |
| ▸ | CYP2C8 | P10632 | 5/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.59 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CCR1 | P32246 | 1/20 | 0.49 |
| ▸ | FERMT2 | Q96AC1 | 2/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
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 SCHEMBL7837803 | 0.86 | PKM (0.55) | CYP1A2CYP2D6CYP2C8CYP2C19KCNH2 | |
| Hydrochloric Acid SCHEMBL7836977 | 0.86 | PKM (0.52) | CYP1A2CYP2D6CYP2C8CYP2C19KCNH2 | |
| SCHEMBL4280268 | 0.85 | CYP1A2 (0.52) | CYP1A2CYP2D6CYP2C8CYP2C19KCNH2 | |
| Hydrochloric Acid SCHEMBL7839963 | 0.85 | KDM4E (0.55) | CYP1A2CYP2D6CYP2C8CYP2C19KCNH2 | |
| SCHEMBL4288006 | 0.85 | PKM (0.72) | CYP1A2CYP2D6CYP2C8CYP2C19KCNH2 | |
| SCHEMBL7835711 | 0.85 | CYP1A2 (0.55) | CYP1A2CYP2D6CYP2C8CYP2C19KCNH2 | |
| SCHEMBL29578425 | 0.85 | PKM (0.72) | CYP1A2CYP2D6CYP2C8CYP2C19KCNH2 | |
| Hydrochloric Acid SCHEMBL7835329 | 0.84 | CYP1A2 (0.50) | CYP1A2CYP2D6CYP2C8CYP2C19KCNH2 | |
| Hydrochloric Acid SCHEMBL7837727 | 0.84 | CYP2D6 (0.52) | CYP1A2CYP2D6CYP2C8CYP2C19KCNH2 | |
| SCHEMBL4278268 | 0.84 | CYP1A2 (0.49) | CYP1A2CYP2D6CYP2C8CYP2C19KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0876346-B1 | ANTIMALARIAL QUINOLIN DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2001-07-25 | — | — | EP | disclosed |