Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLS | O94925 | 2/20 | 0.44 |
| ▸ | CKS1B | P61024 | 2/20 | 0.36 |
| ▸ | SKP1 | P63208 | 2/20 | 0.36 |
| ▸ | SKP2 | Q13309 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | KIT | P10721 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.34 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.34 |
| ▸ | GBA1 | P04062 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2488245 | 0.89 | ALDH1A1 (0.34) | GLSCYP3A4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL2487019 | 0.84 | ALDH1A1 (0.38) | GLSCYP3A4ALDH1A1 | |
| SCHEMBL2487131 | 0.84 | IDO1 (0.42) | HDAC1HDAC6IDO1TDO2MAPT | |
| SCHEMBL2490470 | 0.79 | GLS (0.42) | GLSCKS1BSKP1SKP2KIT | |
| SCHEMBL2487774 | 0.76 | CKS1B (0.47) | CKS1BSKP1SKP2KITACKR3 | |
| SCHEMBL12338761 | 0.74 | GLS (0.42) | GLSCKS1BSKP1SKP2KIT | |
| SCHEMBL2490202 | 0.72 | PARP1 (0.43) | HDAC1HDAC6MAPK1PARP1TNKS2 | |
| Trifluoroacetic Acid SCHEMBL2487274 | 0.72 | SMYD2 (0.32) | CYP3A4ALDH1A1 | |
| SCHEMBL2486666 | 0.72 | NPC1 (0.47) | CYP3A4NPC1MAPTRAB9A | |
| SCHEMBL2487744 | 0.72 | ALDH1A1 (0.41) | CYP3A4ALDH1A1MAPT |
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-2379551-A1 | SUBSTITUTED PYRAZOLO [3, 4-B]PYRIDINE COMPOUNDS | ArQule, Inc. (US) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010078427-A1 | SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS | ARQULE, INC. (US) | 2010-07-08 | — | — | WO | disclosed |