Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | VDR | P11473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.32 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.31 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.30 |
| ▸ | PTGER4 | P35408 | 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 | |
|---|---|---|---|---|
| SCHEMBL8284638 | 0.87 | CDK1 (0.37) | CYP2A6HDAC1VDRALDH1A1FAAH | |
| SCHEMBL8284643 | 0.77 | HTT (0.39) | CYP2A6HDAC1VDRALDH1A1FAAH | |
| SCHEMBL8284400 | 0.74 | TRPC5 (0.42) | ALDH1A1FGFR1 | |
| SCHEMBL8283861 | 0.72 | CYP2A6 (0.35) | CYP2A6ALDH1A1ALDH1A3PTGER4 | |
| SCHEMBL8284636 | 0.66 | TNF (0.41) | ALDH1A1 | |
| SCHEMBL31347018 | 0.63 | CYP2A6 (0.47) | CYP2A6HDAC1ALDH1A1FGFR1ALDH1A3 | |
| SCHEMBL4241864 | 0.62 | PKM (0.43) | CYP2A6HDAC1ALDH1A1 | |
| SCHEMBL243277 | 0.61 | — | — | |
| SCHEMBL6170548 | 0.61 | GALR3 (0.48) | VDRALDH1A1 | |
| SCHEMBL6745 | 0.61 | PARP1 (0.38) | ALDH1A1FAAH |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005058869-A1 | AMINOBENZIMIDAZOLES AND BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2005-06-30 | — | — | WO | disclosed |