Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD2 | Q9NRG4 | 1/20 | 0.32 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.31 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | CASP7 | P55210 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL2487091 | 0.86 | DPP8 (0.35) | DPP8DPP7ROCK2CYP3A4 | |
| SCHEMBL2486158 | 0.84 | CREBBP (0.36) | SMYD2ROCK2CYP3A4ALDH1A1KDM4E | |
| SCHEMBL12315754 | 0.80 | ALDH1A1 (0.34) | ROCK2CYP3A4ALDH1A1KDM4ECASP1 | |
| SCHEMBL2488481 | 0.80 | ROCK2 (0.36) | SMYD2ROCK2CYP3A4ALDH1A1CASP1 | |
| Trifluoroacetic Acid SCHEMBL2488017 | 0.79 | DPP8 (0.34) | DPP8DPP7ALDH1A1KDM4E | |
| SCHEMBL2487751 | 0.75 | CREBBP (0.36) | ROCK2KDM4E | |
| Hydrochloric Acid SCHEMBL2487019 | 0.75 | ALDH1A1 (0.38) | ROCK2CYP3A4ALDH1A1 | |
| SCHEMBL2488245 | 0.74 | ALDH1A1 (0.34) | ROCK2CYP3A4ALDH1A1CASP1CASP7 | |
| SCHEMBL2488582 | 0.74 | PDGFRB (0.32) | DPP8DPP7ROCK2CYP3A4ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL2511751 | 0.73 | HAT1 (0.40) | CYP3A4ALDH1A1KDM4E |
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 |