Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10938987 | 0.89 | CYP3A4 (0.35) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL11054308 | 0.87 | CYP3A4 (0.32) | CYP3A4 | |
| SCHEMBL11225624 | 0.86 | POLB (0.32) | — | |
| SCHEMBL11056815 | 0.85 | GRIN2D (0.31) | — | |
| Hydrochloric Acid SCHEMBL11134530 | 0.85 | POLB (0.31) | — | |
| SCHEMBL11058392 | 0.84 | CYP3A4 (0.34) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL11059447 | 0.82 | PLAU (0.33) | CYP3A4ACHE | |
| SCHEMBL11056463 | 0.82 | CYP3A4 (0.31) | CYP3A4ACHE | |
| SCHEMBL10613005 | 0.81 | ESR1 (0.37) | — | |
| SCHEMBL11050283 | 0.81 | GRIN2D (0.33) | CYP3A4ACHE |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4452980-A | DIARRHEA | WILLIAM H. RORER, INC. (US) | 1984-06-05 | — | — | US | disclosed |
| US-4246409-A | ANTIDIARRHEAL AGENTS | WILLIAM H. RORER, INC. (US) | 1981-01-20 | — | — | US | disclosed |
| US-4225315-A | Triazinones from amidinoureas | WILLIAM H. RORER, INC. (US) | 1980-09-30 | — | — | US | disclosed |
| US-4147804-A | ANTIARRHYTHMIA AGENTS | WILLIAM H. RORER, INC. (US) | 1979-04-03 | — | — | US | disclosed |