Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 18/20 | 0.50 |
| ▸ | PDGFRB | P09619 | 13/20 | 0.50 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 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 SCHEMBL2490577 | 0.85 | KDR (0.50) | KDRPDGFRB | |
| Hydrochloric Acid SCHEMBL2486185 | 0.76 | LMNA (0.51) | KDRPDGFRB | |
| SCHEMBL2487449 | 0.75 | NPC1 (0.50) | KDRPDGFRB | |
| Trifluoroacetic Acid SCHEMBL2488044 | 0.74 | PAK1 (0.35) | KDRPDGFRB | |
| SCHEMBL2802923 | 0.73 | TRPV1 (0.58) | KDRPDGFRB | |
| SCHEMBL2806850 | 0.73 | RAB9A (0.60) | KDRPDGFRB | |
| SCHEMBL2805561 | 0.72 | KDR (0.51) | KDRPDGFRB | |
| SCHEMBL2803952 | 0.72 | TRPV1 (0.56) | — | |
| Trifluoroacetic Acid SCHEMBL2487366 | 0.71 | ROCK2 (0.46) | — | |
| SCHEMBL2806855 | 0.71 | PAK1 (0.43) | KDRPDGFRB |
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 |