Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 2/20 | 0.51 |
| ▸ | CCR3 | P51677 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | PIM1 | P11309 | 1/20 | 0.46 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10345282 | 0.99 | POLB (0.52) | OPRL1CCR3POLBSIGMAR1CYP3A4 | |
| SCHEMBL10345184 | 0.83 | OPRL1 (0.56) | OPRL1CCR3POLBSIGMAR1CYP3A4 | |
| Bromide SCHEMBL10345274 | 0.82 | OPRL1 (0.55) | OPRL1CCR3POLBSIGMAR1CYP3A4 | |
| SCHEMBL10345227 | 0.81 | CCR3 (0.60) | OPRL1CCR3POLBSIGMAR1CYP3A4 | |
| SCHEMBL10345603 | 0.80 | HSP90AA1 (0.42) | POLBCYP2D6DRD2DRD3HSP90AA1 | |
| SCHEMBL10345257 | 0.79 | PIM1 (0.56) | OPRL1CCR3POLBCYP3A4HSD17B10 | |
| SCHEMBL12589184 | 0.79 | OPRL1 (0.58) | OPRL1CCR3POLBSIGMAR1CYP3A4 | |
| Hydrochloric Acid SCHEMBL10345172 | 0.78 | PIM1 (0.56) | OPRL1CCR3POLBCYP3A4HSD17B10 | |
| SCHEMBL10345569 | 0.77 | CHRM2 (0.58) | OPRL1CCR3POLBCYP3A4HSD17B10 | |
| SCHEMBL2342807 | 0.75 | CYP3A4 (0.57) | OPRL1POLBCYP3A4HSD17B10ALDH1A1 |
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-0152236-B1 | ARYLOXYMETHYLPYRROLIDINOLS AND PIPERIDINOLS HAVING ANTIDEPRESSANT, ANTIARHYTHMIC OR HYPOTENSIVE ACTIVITY | A.H. ROBINS COMPANY, INCORPORATED (US) | 1990-04-18 | — | — | EP | claimed |
| EP-0152236-A2 | Aryloxymethylpyrrolidinols and piperidinols having antidepressant, antiarhythmic or hypotensive activity | A.H. ROBINS COMPANY, INCORPORATED (US) | 1985-08-21 | — | — | EP | claimed |
| US-4508724-A | Aryloxymethylpyrrolidinols and piperidinols having antidepressant, antiarrhythmic or hypotensive activity | A. H. ROBINS COMPANY, INC. (US) | 1985-04-02 | — | — | US | claimed |