Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 17/20 | 0.48 |
| ▸ | TACR1 | P25103 | 15/20 | 0.48 |
| ▸ | TACR3 | P29371 | 7/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | CCR5 | P51681 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8355974 | 0.92 | CA12 (0.42) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8356065 | 0.89 | KMT2A (0.39) | TACR2TACR1TACR3 | |
| SCHEMBL8348494 | 0.89 | TACR2 (0.50) | TACR2TACR1CYP3A4CYP2D6 | |
| SCHEMBL8350410 | 0.89 | KMT2A (0.38) | TACR2TACR1TACR3HRH1 | |
| SCHEMBL8355522 | 0.88 | TACR2 (0.53) | TACR2TACR1 | |
| SCHEMBL8636699 | 0.88 | SPR (0.40) | TACR2TACR1 | |
| SCHEMBL8349962 | 0.87 | TACR2 (0.50) | TACR2TACR1TACR3HRH1 | |
| SCHEMBL8347573 | 0.87 | USP2 (0.43) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8355997 | 0.86 | CCR4 (0.41) | TACR2TACR1HRH1 | |
| SCHEMBL8347206 | 0.85 | TACR2 (0.51) | TACR2TACR1TACR3HRH1 |
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 2 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 |