Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 18/20 | 0.46 |
| ▸ | TACR1 | P25103 | 16/20 | 0.46 |
| ▸ | TACR3 | P29371 | 6/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8355600 | 0.85 | TACR2 (0.50) | TACR2TACR1TACR3HRH1 | |
| SCHEMBL5677572 | 0.83 | TACR2 (0.49) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8296076 | 0.81 | TACR2 (0.44) | TACR2TACR1 | |
| SCHEMBL8347396 | 0.80 | TACR2 (0.48) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8590896 | 0.78 | SLC6A4 (0.42) | CYP2D6 | |
| SCHEMBL8349879 | 0.77 | TACR2 (0.60) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8296258 | 0.76 | SLC6A4 (0.41) | CYP3A4CYP2D6 | |
| SCHEMBL7678434 | 0.76 | TACR2 (0.47) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL6951866 | 0.74 | TACR2 (0.62) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8296290 | 0.74 | TACR1 (0.50) | TACR2TACR1TACR3 |
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 |