Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 10/20 | 0.54 |
| ▸ | TACR2 | P21452 | 10/20 | 0.54 |
| ▸ | CCR5 | P51681 | 3/20 | 0.49 |
| ▸ | TACR3 | P29371 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7955335 | 1.00 | TACR1 (0.54) | TACR1TACR2CCR5TACR3CYP3A4 | |
| SCHEMBL8113675 | 0.83 | TACR2 (0.58) | TACR1TACR2CCR5TACR3CYP3A4 | |
| SCHEMBL7944525 | 0.82 | CCR5 (0.51) | TACR1TACR2CCR5TACR3CYP3A4 | |
| SCHEMBL7137067 | 0.80 | TACR2 (0.70) | TACR1TACR2 | |
| SCHEMBL8109487 | 0.80 | TACR2 (0.65) | TACR1TACR2CCR5TACR3 | |
| SCHEMBL6543209 | 0.80 | TACR3 (0.47) | TACR1TACR2CCR5TACR3CYP3A4 | |
| SCHEMBL7944707 | 0.80 | TACR3 (0.47) | TACR1TACR2CCR5TACR3CYP3A4 | |
| SCHEMBL6544379 | 0.80 | CCR5 (0.49) | TACR1TACR2CCR5TACR3CYP3A4 | |
| SCHEMBL7955246 | 0.80 | CCR5 (0.49) | TACR1TACR2CCR5TACR3CYP3A4 | |
| SCHEMBL7951333 | 0.79 | TACR1 (0.55) | TACR1TACR2CYP2D6 |
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-6262046-B1 | Azetidinylpropylpiperidine derivatives, intermediates and use as tachykinin antagonists | PFIZER INC. | 2001-07-17 | — | — | US | disclosed |