Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6158943 | 0.94 | NOS3 (0.36) | NOS3NOS1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL1952765 | 0.82 | CYP3A4 (0.46) | NOS3NOS1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8912218 | 0.77 | HTR2C (0.46) | NOS3NOS1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL4971350 | 0.77 | NPY5R (0.39) | NOS3NOS1CYP2D6 | |
| SCHEMBL1953926 | 0.76 | CYP3A4 (0.44) | NOS3NOS1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL4461347 | 0.71 | DPP4 (0.40) | NOS3NOS1CYP2D6 | |
| SCHEMBL4873514 | 0.71 | HTR2C (0.45) | NOS3NOS1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL4480479 | 0.68 | KDM5A (0.34) | CYP2D6 | |
| SCHEMBL4974460 | 0.67 | MAPK1 (0.33) | NOS3NOS1 | |
| SCHEMBL1974787 | 0.66 | L3MBTL3 (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0808303-A1 | 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST | ZENECA LIMITED (GB) | 1997-11-26 | — | — | EP | disclosed |
| WO-1996024582-A1 | 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST | ZENECA LIMITED (GB) | 1996-08-15 | — | — | WO | disclosed |