Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | PTAFR | P25105 | 2/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.44 |
| ▸ | CHKA | P35790 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7348199 | 0.81 | ESR1 (0.65) | HRH3 | |
| SCHEMBL1071093 | 0.78 | KEAP1 (0.55) | KEAP1 | |
| SCHEMBL27768912 | 0.78 | KEAP1 (0.60) | KEAP1CD274 | |
| SCHEMBL322305 | 0.78 | HRH3 (0.74) | HRH3CYP2D6CYP2C19HRH4DRD4 | |
| SCHEMBL7440889 | 0.78 | HRH3 (0.58) | HRH3CYP2D6CYP2C19HRH4 | |
| SCHEMBL1888525 | 0.77 | HRH3 (0.78) | HRH3CYP2D6CYP2C19HRH4 | |
| Methane SCHEMBL8063684 | 0.75 | HRH3 (0.75) | HRH3CYP2D6CYP2C19HRH4 | |
| SCHEMBL7101510 | 0.72 | LMNA (0.53) | HRH3DRD4 | |
| SCHEMBL7442242 | 0.72 | LTA4H (0.69) | HRH3DRD4 | |
| Phenol SCHEMBL27575460 | 0.72 | KEAP1 (0.50) | KEAP1CD274 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0993300-A4 | ANTITHROMBOTIC AGENTS | LILLY CO ELI (US) | 2002-07-31 | — | — | EP | disclosed |
| EP-0993300-A1 | ANTITHROMBOTIC AGENTS | ELI LILLY AND COMPANY (US) | 2000-04-19 | — | — | EP | disclosed |
| WO-1998048798-A1 | ANTITHROMBOTIC AGENTS | ELI LILLY AND COMPANY (US) | 1998-11-05 | — | — | WO | disclosed |