Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 18/20 | 0.51 |
| ▸ | TACR1 | P25103 | 13/20 | 0.48 |
| ▸ | TACR3 | P29371 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CCR5 | P51681 | 2/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8355505 | 0.89 | TACR2 (0.62) | TACR2TACR1TACR3HRH1 | |
| SCHEMBL8347399 | 0.88 | TACR2 (0.63) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8355977 | 0.86 | TACR2 (0.54) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8640624 | 0.85 | TACR2 (0.52) | TACR2TACR1TACR3CYP2D6HRH1 | |
| SCHEMBL8640621 | 0.85 | TACR2 (0.52) | TACR2TACR1TACR3CYP2D6HRH1 | |
| SCHEMBL8356003 | 0.84 | TACR2 (0.48) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8355529 | 0.83 | TACR2 (0.64) | TACR2TACR1TACR3HRH1 | |
| SCHEMBL8350412 | 0.83 | TACR2 (0.49) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8347577 | 0.82 | TACR2 (0.49) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8350134 | 0.82 | TACR2 (0.67) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5824690-A | TREATING ASTHMA, COUGH | HOECHST MARION ROUSSEL INC. (US) | 1998-10-20 | — | — | US | disclosed |