Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CCR1 | P32246 | 1/20 | 0.46 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | FERMT2 | Q96AC1 | 2/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.45 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7836465 | 0.91 | CYP1A2 (0.51) | PKMCYP1A2CCR1CYP2C8CYP2D6 | |
| SCHEMBL4281724 | 0.90 | PKM (0.60) | PKMCYP1A2CCR1CYP2C8CYP2D6 | |
| SCHEMBL7826368 | 0.89 | PKM (0.54) | PKMCYP1A2CCR1CYP2C8CYP2D6 | |
| SCHEMBL29578425 | 0.87 | PKM (0.72) | PKMCYP1A2CCR1CYP2C8CYP2D6 | |
| SCHEMBL4288006 | 0.87 | PKM (0.72) | PKMCYP1A2CCR1CYP2C8CYP2D6 | |
| Hydrochloric Acid SCHEMBL7837900 | 0.86 | PKM (0.70) | PKMCYP1A2CCR1CYP2C8CYP2D6 | |
| Hydrochloric Acid SCHEMBL7839361 | 0.85 | PKM (0.55) | PKMCYP1A2CCR1CYP2C8CYP2D6 | |
| SCHEMBL7836655 | 0.84 | PKM (0.48) | PKMCYP1A2CCR1CYP2C8CYP2D6 | |
| Hydrochloric Acid SCHEMBL7838222 | 0.83 | PKM (0.59) | PKMCYP1A2CCR1CYP2C8CYP2D6 | |
| SCHEMBL7835244 | 0.83 | CYP1A2 (0.53) | PKMCYP1A2CCR1CYP2C8CYP2D6 |
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 |