Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 11/20 | 0.45 |
| ▸ | TACR1 | P25103 | 8/20 | 0.45 |
| ▸ | TACR3 | P29371 | 7/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CCR5 | P51681 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8148212 | 1.00 | TACR2 (0.45) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8151449 | 0.87 | CHRM2 (0.50) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8151444 | 0.87 | CHRM2 (0.50) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8142244 | 0.87 | TACR2 (0.58) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8142247 | 0.87 | TACR2 (0.58) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8150747 | 0.83 | TACR2 (0.46) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8150748 | 0.83 | TACR2 (0.46) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8151115 | 0.80 | TACR2 (0.53) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8151112 | 0.80 | TACR2 (0.53) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8151876 | 0.75 | TACR2 (0.51) | 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 |