Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 17/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | SMYD2 | Q9NRG4 | 1/20 | 0.38 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8102904 | 0.67 | CES2 (0.43) | CES2 | |
| SCHEMBL8103340 | 0.67 | DDB1 (0.43) | CES2 | |
| SCHEMBL6866848 | 0.62 | TACR1 (0.60) | TACR1 | |
| SCHEMBL6872779 | 0.60 | TACR1 (1.00) | TACR1 | |
| SCHEMBL26375017 | 0.59 | AR (0.49) | TACR1 | |
| SCHEMBL14302647 | 0.58 | GPR3 (0.52) | TACR1GPBAR1 | |
| SCHEMBL6207612 | 0.57 | NOS3 (0.52) | — | |
| SCHEMBL29498353 | 0.57 | NOS3 (0.52) | — | |
| SCHEMBL20880410 | 0.57 | CYP26A1 (0.38) | CES2 | |
| SCHEMBL16727182 | 0.56 | FFAR4 (0.38) | TACR1SMYD2CES2 |
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-1489083-A1 | FUSED BICYCLIC PYRIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST | Kyorin Pharmaceutical Co., Ltd. (JP) | 2004-12-22 | — | — | EP | disclosed |