Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 6/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | SMYD2 | Q9NRG4 | 3/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | EP300 | Q09472 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | MTHFD2 | P13995 | 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 | |
|---|---|---|---|---|
| SCHEMBL2485028 | 0.88 | P2RX7 (0.40) | ROCK2CYP3A4CREBBPBRD4LMNA | |
| Hydrochloric Acid SCHEMBL2487019 | 0.84 | ALDH1A1 (0.38) | ROCK2CYP3A4TRPV1ALDH1A1LMNA | |
| SCHEMBL2486063 | 0.82 | ROCK2 (0.37) | ROCK2CYP3A4ALDH1A1CASP1CASP7 | |
| SCHEMBL2488245 | 0.82 | ALDH1A1 (0.34) | ROCK2CYP3A4TRPV1ALDH1A1CASP1 | |
| SCHEMBL2486666 | 0.81 | NPC1 (0.47) | ROCK2CYP3A4TRPV1SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL2487274 | 0.80 | SMYD2 (0.32) | ROCK2CYP3A4ALDH1A1SMYD2CASP1 | |
| SCHEMBL2488480 | 0.74 | P2RX7 (0.33) | ALDH1A1CREBBPBRD4EP300LMNA | |
| SCHEMBL2483716 | 0.74 | BRS3 (0.47) | TRPV1ALDH1A1 | |
| SCHEMBL2486158 | 0.72 | CREBBP (0.36) | ROCK2CYP3A4ALDH1A1SMYD2CREBBP | |
| SCHEMBL2803958 | 0.70 | ROCK2 (0.50) | ROCK2CYP3A4LMNA |
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 |