Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | PTGES | O14684 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | IL1B | P01584 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10067970 | 0.83 | PTGES (0.39) | ALDH1A1LMNACHRM1NPC1RAB9A | |
| SCHEMBL14286151 | 0.80 | ADORA2A (0.39) | CHRM1NPC1RAB9AADORA2AADORA1 | |
| SCHEMBL14600765 | 0.71 | ADORA2A (0.41) | NPC1RAB9APTGESADORA2AADORA1 | |
| SCHEMBL14286139 | 0.67 | ROCK2 (0.40) | CHRM1ADORA2AADORA1MAPK14MEN1 | |
| SCHEMBL14286160 | 0.66 | CHRM1 (0.42) | CHRM1NPC1RAB9ACHRM3ADORA2A | |
| SCHEMBL14286138 | 0.64 | GSK3B (0.45) | CHRM1CHRM3ADORA2AADORA1MEN1 | |
| SCHEMBL14286135 | 0.64 | ROCK2 (0.41) | CHRM1ADORA2AADORA1MAPK14MEN1 | |
| SCHEMBL15551944 | 0.64 | CHRM1 (0.42) | LMNACHRM1CHRM3P2RX7CNR1 | |
| SCHEMBL14286161 | 0.63 | ALDH1A1 (0.36) | ALDH1A1LMNAPTGESMAPK14MEN1 | |
| SCHEMBL14286176 | 0.63 | HPGD (0.52) | ALDH1A1LMNAMEN1KMT2A |
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 |