Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 4/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.32 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | PDE4A | P27815 | 1/20 | 0.30 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15881998 | 0.83 | POLB (0.36) | ALDH1A1KMT2ABAZ2BKDM4E | |
| SCHEMBL17454469 | 0.83 | BAZ2B (0.33) | BAZ2BPDE4APDE4D | |
| SCHEMBL8435005 | 0.81 | PLA2G10 (0.44) | ALDH1A1BAZ2BKDM4E | |
| SCHEMBL8433063 | 0.80 | MAPK1 (0.36) | NPC1RAB9AALDH1A1KMT2ABAZ2B | |
| SCHEMBL17452579 | 0.80 | BAZ2B (0.32) | BAZ2BACHEKDM4E | |
| SCHEMBL20647017 | 0.78 | MAPK1 (0.34) | RIPK1CHRNA7RAB9AALDH1A1KMT2A | |
| SCHEMBL21604132 | 0.73 | PKM (0.35) | CHRNA7CRHR1NPC1RAB9AALDH1A1 | |
| SCHEMBL20646849 | 0.72 | RIPK1 (0.39) | RIPK1PDE4B | |
| SCHEMBL25139454 | 0.72 | BAZ2B (0.58) | RIPK1NPC1RAB9AALDH1A1KMT2A | |
| SCHEMBL17321550 | 0.70 | KCNH2 (0.37) | KMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9902702-B2 | Spirocycloheptanes as inhibitors of rock | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-02-27 | — | — | US | disclosed |