Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 18/20 | 0.47 |
| ▸ | NOS2 | P35228 | 18/20 | 0.47 |
| ▸ | NOS3 | P29474 | 14/20 | 0.47 |
| ▸ | GABRP | O00591 | 1/20 | 0.41 |
| ▸ | GABRD | O14764 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.41 |
| ▸ | GABRE | P78334 | 1/20 | 0.41 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.41 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.41 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.41 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8306795 | 0.98 | NOS1 (0.45) | NOS1NOS2NOS3GABRPGABRD | |
| SCHEMBL5901595 | 0.87 | — | — | |
| SCHEMBL5901602 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL7057936 | 0.85 | GABRP (0.47) | NOS1NOS2NOS3GABRPGABRD | |
| Hydrochloric Acid SCHEMBL7057934 | 0.85 | GABRP (0.47) | NOS1NOS2NOS3GABRPGABRD | |
| SCHEMBL346633 | 0.75 | OAT (0.33) | — | |
| SCHEMBL28768420 | 0.70 | GABRP (0.35) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| Hydrochloric Acid SCHEMBL8871069 | 0.67 | CHRNB4 (0.41) | CYP2C19 | |
| SCHEMBL18733223 | 0.67 | NOS1 (0.43) | NOS1NOS2NOS3 | |
| SCHEMBL21383442 | 0.65 | CYP1A2 (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0630244-A1 | MUSCARINIC AGONISTS | THE UNIVERSITY OF TOLEDO (US) | 1994-12-28 | — | — | EP | disclosed |
| EP-0612319-A1 | BENZOHETEROCYCLIC COMPOUNDS AS OXYTOCIN AND VASOPRESSIN ANTAGONISTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-08-31 | — | — | EP | disclosed |
| EP-0630244-A4 | MUSCARINIC AGONISTS. | UNIV TOLEDO (US) | 1994-04-07 | — | — | EP | disclosed |
| WO-1994004525-A1 | BENZOHETEROCYCLIC COMPOUNDS AS OXYTOCIN AND VASOPRESSIN ANTAGONISTS | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1994-03-03 | — | — | WO | disclosed |
| WO-1993003726-A1 | MUSCARINIC AGONISTS | THE UNIVERSITY OF TOLEDO (US) | 1993-03-04 | — | — | WO | disclosed |