Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CREBBP | Q92793 | 2/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 5/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HAT1 | O14929 | 1/20 | 0.32 |
| ▸ | EP300 | Q09472 | 1/20 | 0.32 |
| ▸ | SMYD2 | Q9NRG4 | 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 | |
|---|---|---|---|---|
| SCHEMBL2487751 | 0.90 | CREBBP (0.36) | CREBBPBRD4P2RX7LMNATDP1 | |
| Trifluoroacetic Acid SCHEMBL2487274 | 0.84 | SMYD2 (0.32) | ROCK2CYP3A4KDM4EALDH1A1SMYD2 | |
| SCHEMBL12315754 | 0.84 | ALDH1A1 (0.34) | LMNAROCK2CYP3A4KDM4EALDH1A1 | |
| SCHEMBL2485028 | 0.83 | P2RX7 (0.40) | CREBBPBRD4P2RX7LMNACDK4 | |
| Trifluoroacetic Acid SCHEMBL2487091 | 0.79 | DPP8 (0.35) | ROCK2CYP3A4 | |
| SCHEMBL2802456 | 0.77 | BRD4 (0.38) | CREBBPBRD4P2RX7CDK4CCND1 | |
| SCHEMBL2487774 | 0.74 | CKS1B (0.47) | CREBBPBRD4LMNA | |
| SCHEMBL2490206 | 0.74 | HCRTR2 (0.40) | LMNAKDM4EALDH1A1 | |
| SCHEMBL2805666 | 0.73 | SMYD2 (0.41) | TDP1CYP3A4SMYD2 | |
| SCHEMBL2485351 | 0.72 | ALDH1A1 (0.36) | ROCK2KDM4EALDH1A1HAT1EP300 |
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 |