Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 18/20 | 0.63 |
| ▸ | TACR1 | P25103 | 16/20 | 0.61 |
| ▸ | TACR3 | P29371 | 8/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | CCR5 | P51681 | 2/20 | 0.52 |
| ▸ | HRH1 | P35367 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8355977 | 0.92 | TACR2 (0.54) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8636704 | 0.88 | TACR2 (0.51) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8348496 | 0.88 | TACR2 (0.61) | TACR2TACR1TACR3HRH1 | |
| SCHEMBL8356068 | 0.88 | TACR2 (0.50) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8350412 | 0.87 | TACR2 (0.49) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8355529 | 0.87 | TACR2 (0.64) | TACR2TACR1TACR3HRH1 | |
| SCHEMBL8347577 | 0.86 | TACR2 (0.49) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8349964 | 0.85 | TACR2 (0.61) | TACR2TACR1TACR3HRH1 | |
| SCHEMBL8356003 | 0.85 | TACR2 (0.48) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8204438 | 0.85 | TACR2 (0.67) | TACR2TACR1TACR3CYP3A4CYP2D6 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5861416-A | TREATMENT OF ASTHMA OR COUGH | MERRELL PHARMACEUTICALS INC. (US) | 1999-01-19 | — | — | US | disclosed |
| US-5824690-A | TREATING ASTHMA, COUGH | HOECHST MARION ROUSSEL INC. (US) | 1998-10-20 | — | — | US | disclosed |
| EP-0696280-B1 | SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS | MERRELL PHARMA INC (US) | 1997-09-24 | — | — | EP | disclosed |
| US-5661160-A | ADMINISTERING AN ANTITUSSIVE AGENT FOR TREATING COUGH; TACHYKININ ANTAGONISM, SUBSTANCE P AND NEUROKININ A ANTAGONISM | MERRELL PHARMACEUTICALS INC. (US) | 1997-08-26 | — | — | US | disclosed |
| US-5648366-A | TACHYKININ ANTAGONISTS USEFUL IN TREATING ASTHMA | MERRELL PHARMACEUTICALS INC. (US) | 1997-07-15 | — | — | US | disclosed |
| US-5635510-A | TACHYKININ (ESPECIALLY SUBSTANCE P AND NEUROKININ A) ANTAGONISTS; ANTIINFLAMMATORY AGENTS, ANALGESICS; NERVOUS SYSTEM DISORDERS; BRONCHODILATOR AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1997-06-03 | — | — | US | disclosed |
| EP-0696280-A1 | SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS | MERRELL DOW PHARMA (US) | 1996-02-14 | — | — | EP | disclosed |
| WO-1994026735-A1 | SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-11-24 | — | — | WO | disclosed |