Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 8/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.37 |
| ▸ | PDE5A | O76074 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | TACR2 | P21452 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16970805 | 0.82 | RIPK1 (0.41) | — | |
| SCHEMBL21223485 | 0.80 | RIPK1 (0.46) | PDE5AGSK3B | |
| SCHEMBL29182906 | 0.75 | CHRNB2 (0.40) | — | |
| SCHEMBL1969505 | 0.73 | HSD11B1 (0.35) | SLC6A2SLC6A4SLC6A3PDE5ANOTUM | |
| SCHEMBL14335803 | 0.71 | TACR1 (0.43) | TACR1GSK3B | |
| SCHEMBL14335801 | 0.71 | TACR1 (0.43) | TACR1GSK3B | |
| SCHEMBL29182660 | 0.71 | CHRM1 (0.32) | — | |
| SCHEMBL3313520 | 0.70 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL4023245 | 0.69 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3NOTUMABCG2 | |
| SCHEMBL1971001 | 0.69 | SLC6A4 (0.37) | SLC6A2SLC6A4SLC6A3PDE5ATACR2 |
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-0823906-B1 | PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS | SCHERING CORP (US) | 2003-07-09 | — | — | EP | disclosed |
| US-5981520-A | USEFUL FOR TREATING ASTHMA, BRONCHOSPASM, ALLERGIES, ANXIETY, COUGHING OR PAIN | SCHERING CORPORATION (US) | 1999-11-09 | — | — | US | disclosed |
| US-5795894-A | TREATMENT OF ASTHMA AND BRONCHOSPASM | SCHERING CORPORATION (US) | 1998-08-18 | — | — | US | disclosed |
| EP-0823906-A1 | PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS | SCHERING CORPORATION (US) | 1998-02-18 | — | — | EP | disclosed |
| WO-1996034864-A1 | PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS | SCHERING CORPORATION (US) | 1996-11-07 | — | — | WO | disclosed |