Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 13/20 | 0.58 |
| ▸ | TACR1 | P25103 | 11/20 | 0.58 |
| ▸ | TACR3 | P29371 | 7/20 | 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 |
| ▸ | CCR5 | P51681 | 3/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8142247 | 1.00 | TACR2 (0.58) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8151444 | 0.88 | CHRM2 (0.50) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8151449 | 0.88 | CHRM2 (0.50) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8148208 | 0.87 | TACR2 (0.45) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8148212 | 0.87 | TACR2 (0.45) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL6950742 | 0.84 | TACR2 (0.66) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8148884 | 0.83 | TACR2 (0.60) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8148888 | 0.83 | TACR2 (0.60) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7137053 | 0.82 | TACR2 (0.59) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7137046 | 0.82 | TACR2 (0.59) | TACR2TACR1TACR3CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0992493-A1 | Substituted benzoylpiperidine derivatives and their use as Neurokinin antagonists | PFIZER INC. (US) | 2000-04-12 | — | — | EP | disclosed |