Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 7/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
| ▸ | CCND1 | P24385 | 1/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL2488481 | 0.88 | ROCK2 (0.36) | BRD4CREBBPLMNAROCK2CYP3A4 | |
| SCHEMBL2486158 | 0.83 | CREBBP (0.36) | P2RX7BRD4CREBBPLMNAROCK2 | |
| SCHEMBL2486063 | 0.81 | ROCK2 (0.37) | LMNAROCK2CYP3A4 | |
| SCHEMBL2487751 | 0.81 | CREBBP (0.36) | P2RX7BRD4CREBBPLMNAROCK2 | |
| SCHEMBL2487774 | 0.78 | CKS1B (0.47) | BRD4CREBBPLMNA | |
| SCHEMBL2487346 | 0.74 | P2RX7 (0.42) | P2RX7BRD4CREBBPROCK2 | |
| Hydrochloric Acid SCHEMBL2487019 | 0.73 | ALDH1A1 (0.38) | LMNAROCK2CYP3A4 | |
| SCHEMBL2488245 | 0.71 | ALDH1A1 (0.34) | CREBBPLMNAROCK2CYP3A4 | |
| SCHEMBL2486666 | 0.69 | NPC1 (0.47) | ROCK2CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL2487274 | 0.69 | SMYD2 (0.32) | ROCK2CYP3A4 |
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 |