Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 17/20 | 0.67 |
| ▸ | TACR1 | P25103 | 15/20 | 0.67 |
| ▸ | TACR3 | P29371 | 6/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | HRH1 | P35367 | 1/20 | 0.53 |
| ▸ | CCR5 | P51681 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL6954575 | 1.00 | TACR2 (0.67) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL6950742 | 0.93 | TACR2 (0.66) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8810221 | 0.91 | TACR2 (0.56) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8119487 | 0.87 | EPHX2 (0.57) | TACR2TACR1TACR3CYP2D6CCR5 | |
| SCHEMBL7132390 | 0.87 | TACR2 (0.69) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL6544551 | 0.87 | TACR2 (0.69) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL6998425 | 0.86 | EPHX2 (0.53) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7958373 | 0.86 | TACR2 (0.52) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8640624 | 0.86 | TACR2 (0.52) | TACR2TACR1TACR3CYP2D6HRH1 | |
| SCHEMBL8640621 | 0.86 | TACR2 (0.52) | TACR2TACR1TACR3CYP2D6HRH1 |
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 |