Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.74 |
| ▸ | ADRB2 | P07550 | 9/20 | 0.64 |
| ▸ | ADRB1 | P08588 | 9/20 | 0.64 |
| ▸ | ADRB3 | P13945 | 8/20 | 0.64 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.57 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | HTR1A | P08908 | 1/20 | 0.57 |
| ▸ | HTR2A | P28223 | 1/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.57 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL11854073 | 0.86 | CYP2D6 (1.00) | CYP2D6ADRB2ADRB1ADRB3PTGS1 | |
| SCHEMBL10879495 | 0.85 | CYP2D6 (0.74) | CYP2D6ADRB2ADRB1ADRB3PTGS1 | |
| Hydrochloric Acid SCHEMBL11853087 | 0.84 | CYP2D6 (0.97) | CYP2D6ADRB2ADRB1ADRB3PTGS1 | |
| Hydrochloric Acid SCHEMBL10876733 | 0.84 | CYP2D6 (0.72) | CYP2D6ADRB2ADRB1ADRB3PTGS1 | |
| Hydrochloric Acid SCHEMBL10840880 | 0.84 | ADRB2 (0.66) | CYP2D6ADRB2ADRB1ADRB3PTGS1 | |
| SCHEMBL2594781 | 0.83 | ADRB2 (0.65) | CYP2D6ADRB2ADRB1ADRB3PTGS1 | |
| SCHEMBL30781973 | 0.83 | ADRB2 (0.65) | CYP2D6ADRB2ADRB1ADRB3PTGS1 | |
| Hydrochloric Acid SCHEMBL10840958 | 0.82 | MAPT (0.68) | CYP2D6ADRB2ADRB1ADRB3PTGS1 | |
| SCHEMBL11638449 | 0.81 | CYP2D6 (0.67) | CYP2D6ADRB2ADRB1ADRB3PTGS1 | |
| SCHEMBL7307918 | 0.79 | CYP2D6 (0.76) | CYP2D6ADRB2ADRB1ADRB3PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4593119-A | ADRENERGIC BLOCKING AGENTS OF SHORT DURARION | AMERICAN HOSPITAL SUPPLY CORPORATION (US) | 1986-06-03 | — | — | US | disclosed |
| US-4387103-A | SHORT ACTING BETA BLOCKING AGENTS | AMERICAN HOSPITAL SUPPLY CORPORATION (US) | 1983-06-07 | — | — | US | disclosed |
| EP-0053435-A1 | Compounds suitable for treatment or prophylaxis of cardiac disorders | AMERICAN HOSPITAL SUPPLY CORPORATION (US) | 1982-06-09 | — | — | EP | disclosed |