Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 18/20 | 0.50 |
| ▸ | PDGFRB | P09619 | 12/20 | 0.50 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.41 |
| ▸ | MLYCD | O95822 | 1/20 | 0.40 |
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 SCHEMBL2487212 | 0.85 | KDR (0.50) | KDRPDGFRB | |
| Hydrochloric Acid SCHEMBL2486185 | 0.78 | LMNA (0.51) | KDRPDGFRB | |
| Trifluoroacetic Acid SCHEMBL2488044 | 0.76 | PAK1 (0.35) | KDRPDGFRBPAK1 | |
| Trifluoroacetic Acid SCHEMBL2487366 | 0.75 | ROCK2 (0.46) | — | |
| SCHEMBL2485132 | 0.72 | PTGS1 (0.45) | KDRPDGFRBPAK1 | |
| SCHEMBL17484153 | 0.70 | KDR (0.68) | KDRPDGFRB | |
| SCHEMBL2487737 | 0.69 | NPC1 (0.49) | KDRPDGFRBPAK1 | |
| SCHEMBL2488891 | 0.69 | BTK (0.44) | PDGFRBPAK1 | |
| SCHEMBL2804960 | 0.69 | PAK1 (0.37) | KDRPDGFRBPAK1 | |
| Trifluoroacetic Acid SCHEMBL2487091 | 0.69 | DPP8 (0.35) | PAK1 |
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 |