Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 3/20 | 0.34 |
| ▸ | KIT | P10721 | 3/20 | 0.34 |
| ▸ | SRC | P12931 | 3/20 | 0.34 |
| ▸ | MET | P08581 | 2/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4750210 | 0.91 | EGFR (0.39) | EGFRALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4750659 | 0.91 | EGFR (0.42) | EGFRALDH1A1CYP1A2GAACYP2C9 | |
| SCHEMBL4750005 | 0.89 | RAD51 (0.39) | EGFRALDH1A1NPC1RAB9ARXFP1 | |
| SCHEMBL4747889 | 0.86 | ALDH1A1 (0.40) | EGFRALDH1A1CYP1A2GAAUSP2 | |
| SCHEMBL4747315 | 0.83 | EGFR (0.49) | EGFRALDH1A1GAACYP2C9MET | |
| SCHEMBL4750212 | 0.82 | PSD (0.42) | EGFRLCKKITSRCKDR | |
| SCHEMBL4750620 | 0.82 | RAD51 (0.40) | EGFRALDH1A1METPTGS2NPC1 | |
| SCHEMBL5818400 | 0.82 | ZAP70 (0.38) | ALDH1A1CYP1A2GAACYP2C9CYP2C19 | |
| SCHEMBL4751098 | 0.79 | GRM2 (0.38) | ALDH1A1CYP1A2USP2CYP3A4HSD17B10 | |
| SCHEMBL5816238 | 0.76 | ALDH1A1 (0.40) | ALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008123755-A1 | A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTAM TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA | SK CHEMICALS CO., LTD. (KR) | 2008-10-16 | — | — | WO | disclosed |
| WO-2006112666-A1 | PYRIDINE DERIVATIVES, METHODS OF THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | SK CHEMICALS CO., LTD. (KR) | 2006-10-26 | — | — | WO | disclosed |