Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | ADRA2A | P08913 | 5/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 5/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 5/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.50 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.50 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7655344 | 1.00 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL128712 | 1.00 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL2321827 | 0.81 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL2998678 | 0.81 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL66681 | 0.81 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL18929758 | 0.80 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL1199042 | 0.79 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL9614515 | 0.79 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL9862021 | 0.79 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL11437166 | 0.79 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0808303-B1 | 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST | ASTRAZENECA AB (SE) | 2001-06-20 | — | — | EP | disclosed |
| 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 |