Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSIP1 | O75475 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PLK4 | O00444 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | FLT4 | P35916 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.32 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL30107071 | 0.89 | PSIP1 (0.36) | PSIP1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL27827231 | 0.85 | PIK3CG (0.35) | APLNR | |
| SCHEMBL3466366 | 0.84 | APLNR (0.50) | APLNR | |
| SCHEMBL568488 | 0.82 | PLK4 (0.38) | PSIP1NAMPTGAAPLK4AURKA | |
| SCHEMBL13358892 | 0.80 | KDR (0.36) | NAMPTPLK4AURKAROCK2CHEK2 | |
| SCHEMBL30107040 | 0.80 | ALDH1A1 (0.35) | PSIP1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3464427 | 0.80 | PLK4 (0.40) | PSIP1NAMPTGAAPLK4AURKA | |
| SCHEMBL25891814 | 0.75 | PSIP1 (0.40) | PSIP1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3465551 | 0.74 | PIK3CG (0.33) | — | |
| SCHEMBL31375063 | 0.73 | POLB (0.42) | PSIP1CYP1A2CYP3A4CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102227425-A | Azaindazole compounds as ccr1 receptor antagonists | BOEHRINGER INGELHEIM INT | 2011-10-26 | — | — | CN | disclosed |