Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL8006370 | 0.75 | ALDH1A1 (0.32) | ALDH1A1BACE1MAPK1 | |
| SCHEMBL8015828 | 0.72 | ALDH1A1 (0.36) | ALDH1A1BACE1MAPK1 | |
| SCHEMBL8014938 | 0.71 | KIF11 (0.36) | ALDH1A1BACE1 | |
| SCHEMBL8005753 | 0.67 | KIF11 (0.36) | ALDH1A1BACE1 | |
| SCHEMBL31497105 | 0.66 | ALDH1A1 (0.47) | CYP1A2ALDH1A1BACE1MAPK1 | |
| Biphenyl SCHEMBL4455155 | 0.58 | ALDH1A1 (0.90) | CYP1A2CYP2A6ALDH1A1MAPK1 | |
| SCHEMBL28455859 | 0.58 | ALDH1A1 (0.50) | CYP1A2ALDH1A1BACE1MAPK1 | |
| Biphenyl SCHEMBL7559091 | 0.57 | ALDH1A1 (0.69) | CYP1A2CYP2A6ALDH1A1MAPK1 | |
| Biphenyl SCHEMBL27390314 | 0.57 | ALDH1A1 (0.69) | CYP1A2ALDH1A1MAPK1 | |
| Biphenyl SCHEMBL9388941 | 0.55 | ALDH1A1 (0.82) | CYP1A2CYP2A6ALDH1A1MAPK1 |
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-6110947-A | AN ANALGESIC AGENT FOR TREATING STROKE, ABDOMINAL PAIN; AS ANTIINFLAMMATORY, DIURETIC, ANESTHETIC OR NEUROPROTECTIVE AGENTS | PFIZER INC. (US) | 2000-08-29 | — | — | US | disclosed |