Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 10/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 1/20 | 0.34 |
| ▸ | CCR8 | P51685 | 1/20 | 0.34 |
| ▸ | CCR9 | P51686 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
| ▸ | KMO | O15229 | 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 | |
|---|---|---|---|---|
| SCHEMBL7853175 | 0.90 | KDM4E (0.40) | AAK1CCR1CCR5CCR8TP53 | |
| SCHEMBL7845048 | 0.89 | KDR (0.41) | — | |
| SCHEMBL7844289 | 0.84 | ACACB (0.34) | AAK1ATRCCR1CCR5CCR8 | |
| SCHEMBL7843005 | 0.83 | CYP17A1 (0.41) | CYP1A2CYP3A4CYP2C19TP53 | |
| SCHEMBL7240473 | 0.82 | CCR1 (0.33) | AAK1ATRCCR1CCR5CCR8 | |
| SCHEMBL7239061 | 0.82 | AAK1 (0.41) | AAK1ATRCCR1CCR5CCR8 | |
| SCHEMBL19957140 | 0.80 | MAPT (0.38) | ATRTP53MKNK2 | |
| SCHEMBL7843956 | 0.79 | AAK1 (0.39) | AAK1CYP1A2CYP3A4CYP2C19TP53 | |
| SCHEMBL7841970 | 0.78 | RAF1 (0.36) | CCR1CCR5CCR8 | |
| SCHEMBL7230744 | 0.75 | AAK1 (0.40) | AAK1CCR1CCR5CCR8KMO |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1157022-A1 | PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-11-28 | — | — | EP | disclosed |
| WO-2000049015-A1 | PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-08-24 | — | — | WO | disclosed |