Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 16/20 | 0.61 |
| ▸ | TACR1 | P25103 | 15/20 | 0.61 |
| ▸ | TACR3 | P29371 | 8/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | CCR5 | P51681 | 2/20 | 0.57 |
| ▸ | HRH1 | P35367 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8152006 | 1.00 | TACR2 (0.61) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8156823 | 0.95 | TACR2 (0.63) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8156818 | 0.95 | TACR2 (0.63) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL8131542 | 0.94 | TACR2 (0.59) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8151878 | 0.85 | TACR2 (0.51) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8151876 | 0.85 | TACR2 (0.51) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL6699201 | 0.81 | TACR2 (0.74) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL6448740 | 0.81 | TACR2 (0.74) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL6699197 | 0.81 | TACR2 (0.74) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| Methylphenylsulfone SCHEMBL8708981 | 0.80 | TACR2 (0.66) | 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 |