Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | WNT1 | P04628 | 2/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.33 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | PIM2 | Q9P1W9 | 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 | |
|---|---|---|---|---|
| SCHEMBL5042374 | 0.86 | BCAT1 (0.45) | MAPK1BCAT1NPC1RAB9AKDR | |
| SCHEMBL5047846 | 0.80 | MAPK1 (0.47) | POLBMAPK1BCAT1KMT2AGRIN2B | |
| SCHEMBL14286124 | 0.80 | MAPK1 (0.45) | POLBMAPK1BCAT1KMT2AGRIN2B | |
| SCHEMBL14600755 | 0.80 | BCAT1 (0.41) | POLBMAPK1BCAT1GRIN1GRIN2B | |
| SCHEMBL14600775 | 0.76 | BCAT1 (0.39) | POLBBCAT1GRIN1GRIN2BSMN1; SMN2 | |
| SCHEMBL14286127 | 0.74 | GSK3B (0.56) | MAPK1KMT2ASMN1; SMN2L3MBTL1NPC1 | |
| SCHEMBL14286125 | 0.71 | ADORA2A (0.53) | POLBKMT2ASMN1; SMN2L3MBTL1NPC1 | |
| SCHEMBL4827456 | 0.70 | MAP4K1 (0.45) | DYRK1A | |
| SCHEMBL14278769 | 0.67 | GSK3B (0.55) | MAPK1KMT2ASMN1; SMN2L3MBTL1NPC1 | |
| SCHEMBL14286128 | 0.67 | CCNC (0.41) | POLBNPC1RAB9ACCNCCDK8 |
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 |
|---|---|---|---|---|---|---|---|
| US-7314885-B2 | Pyrrole compounds useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-01-01 | — | — | US | disclosed |
| US-7314885-B2 | Pyrrole compounds useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-01-01 | — | — | US | disclosed |