Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ATP4A | P20648 | 2/20 | 0.36 |
| ▸ | ATP4B | P51164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5047846 | 0.98 | MAPK1 (0.47) | MAPK1MAPK10GRIN2BHPGDBCAT1 | |
| SCHEMBL5042374 | 0.84 | BCAT1 (0.45) | MAPK1BCAT1NPC1RAB9A | |
| SCHEMBL14600756 | 0.81 | HPGD (0.39) | GRIN2BHPGDBCAT1HRH4LMNA | |
| SCHEMBL14286122 | 0.80 | POLB (0.48) | MAPK1GRIN2BBCAT1NPC1RAB9A | |
| SCHEMBL14286136 | 0.79 | MAPK1 (0.44) | MAPK1MAPK10GRIN2BHPGDHRH4 | |
| SCHEMBL14286171 | 0.76 | MAPK1 (0.52) | MAPK1MAPK10GRIN2BHPGDHRH4 | |
| SCHEMBL5038382 | 0.76 | MAPK1 (0.49) | MAPK1MAPK10GRIN2BHPGDHRH4 | |
| SCHEMBL14286127 | 0.75 | GSK3B (0.56) | MAPK1MAPK10HPGDLMNANPC1 | |
| SCHEMBL4833072 | 0.73 | TNIK (0.41) | HPGD | |
| SCHEMBL14286125 | 0.71 | ADORA2A (0.53) | LMNANPC1RAB9AALDH1A1SMN1; SMN2 |
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 |