Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RET | P07949 | 1/20 | 0.48 |
| ▸ | CCNT1 | O60563 | 10/20 | 0.46 |
| ▸ | CDK9 | P50750 | 10/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.46 |
| ▸ | AGPAT2 | O15120 | 1/20 | 0.46 |
| ▸ | IGF1R | P08069 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6531053 | 0.84 | ROCK2 (0.46) | RETROCK2KDRUSP2ALDH1A1 | |
| SCHEMBL4104723 | 0.83 | USP2 (0.64) | RETCCNT1CDK9USP2ALDH1A1 | |
| SCHEMBL6531231 | 0.81 | ROCK2 (0.47) | CCNT1CDK9ROCK2ROCK1EGFR | |
| SCHEMBL4116187 | 0.75 | USP2 (0.64) | RETCCNT1CDK9AGPAT2IGF1R | |
| SCHEMBL6530116 | 0.74 | TNIK (0.46) | ROCK2KDRUSP2ALDH1A1LMNA | |
| SCHEMBL15486390 | 0.72 | CYP1A2 (0.66) | CCNT1CDK9USP2ALDH1A1LMNA | |
| SCHEMBL6530951 | 0.72 | MKNK1 (0.51) | ROCK2KDREGFRTNIK | |
| SCHEMBL6531731 | 0.72 | TNIK (0.49) | ROCK2KDREGFRTNIK | |
| SCHEMBL30611394 | 0.72 | ROCK2 (0.58) | RETROCK2KDRROCK1EGFR | |
| SCHEMBL6530590 | 0.72 | ABL1 (0.60) | RETROCK2KDRROCK1EGFR |
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-2005103036-A1 | PYRIMIDIN-4-YL-1H-INDAZOL-5YL-AMINES AS CHK1 KINASES INHIBITORS | BIOFOCUS DISCOVERY LTD (GB) | 2005-11-03 | — | — | WO | claimed |
| WO-2005082892-A2 | TRIAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S LABORATORIES LTD. (IN) | 2005-09-09 | — | — | WO | disclosed |