Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.37 |
| ▸ | HTR3B | O95264 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3256691 | 0.84 | ADRB1 (0.44) | RXFP1SLC6A4SLC6A2SLC6A3OPRD1 | |
| SCHEMBL14593402 | 0.84 | RXFP1 (0.47) | RXFP1SLC6A4SLC6A2SLC6A3OPRD1 | |
| SCHEMBL4557810 | 0.84 | RXFP1 (0.47) | RXFP1SLC6A4SLC6A2SLC6A3OPRD1 | |
| SCHEMBL2330982 | 0.82 | ADRB1 (0.44) | SLC6A4SLC6A2OPRD1ADRB1CYP2D6 | |
| SCHEMBL7434230 | 0.82 | P2RX7 (0.38) | SLC6A4CYP2C19THRBHTR2AHTR2B | |
| SCHEMBL11839058 | 0.82 | ADRB1 (0.44) | SLC6A4SLC6A2OPRD1ADRB1CYP2D6 | |
| SCHEMBL7289610 | 0.81 | OPRD1 (0.37) | RXFP1SLC6A4OPRD1ADRB1CYP2D6 | |
| SCHEMBL7282376 | 0.78 | SLC6A4 (0.49) | SLC6A4SLC6A2SLC6A3OPRD1ADRB1 | |
| SCHEMBL11847697 | 0.78 | HTR3E (0.43) | SLC6A4SLC6A2SLC6A3OPRD1ADRB1 | |
| SCHEMBL7278992 | 0.77 | CYP2D6 (0.58) | SLC6A4SLC6A2OPRD1ADRB1CYP2D6 |
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-4567264-A | ADRENERGIC BLOCKING AGENTS | SYNTEX (U.S.A.) INC. (US) | 1986-01-28 | — | — | US | disclosed |
| US-4558129-A | Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade | SYNTEX (U.S.A.) INC. (US) | 1985-12-10 | — | — | US | disclosed |
| EP-0126449-A1 | Cardioselective aryloxy- and arylthio-hydroxypropyl piperazinyl acetanilides wich affect calcium entry | SYNTEX (U.S.A.) INC. (US) | 1984-11-28 | — | — | EP | disclosed |