Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.46 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.46 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.46 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.46 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.46 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.46 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL16809181 | 0.81 | CSNK1E (0.51) | ACHETP53CSNK1DCSNK1EMAPK14 | |
| SCHEMBL24061157 | 0.79 | ACHE (0.53) | ACHETP53CYP1A1CYP1A2CYP2E1 | |
| SCHEMBL20022105 | 0.78 | ACHE (0.48) | ACHETP53CSNK1DCSNK1EMAPK14 | |
| SCHEMBL20022144 | 0.78 | ACHE (0.48) | ACHETP53CSNK1DCSNK1EMAPK14 | |
| SCHEMBL15906188 | 0.77 | CTSA (0.46) | ACHETP53CSNK1DCSNK1EMAPK14 | |
| SCHEMBL20442448 | 0.77 | KAT6A (0.39) | TP53CSNK1DCSNK1EMAPK14ALDH1A1 | |
| SCHEMBL21262738 | 0.76 | ACHE (0.53) | ACHETP53CYP1A1CYP1A2CYP2E1 | |
| SCHEMBL25619057 | 0.76 | FFAR1 (0.52) | FFAR1 | |
| SCHEMBL5544177 | 0.75 | ACHE (0.75) | ACHETP53CYP1A1CYP1A2CYP2E1 | |
| SCHEMBL17563217 | 0.74 | RPS6KA3 (0.48) | ACHETP53CSNK1DCSNK1EMAPK14 |
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-1833816-B1 | SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS | NOVARTIS AG (CH) | 2009-11-11 | — | — | EP | disclosed |