Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.43 |
| ▸ | BCHE | P06276 | 6/20 | 0.42 |
| ▸ | ACHE | P22303 | 6/20 | 0.42 |
| ▸ | CES2 | O00748 | 4/20 | 0.42 |
| ▸ | CES1 | P23141 | 4/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL13484610 | 0.91 | CES2 (0.44) | KCNH2BCHEACHECES2CES1 | |
| SCHEMBL26665153 | 0.86 | CES2 (0.57) | CES2CES1MAOBNPSR1MEN1 | |
| SCHEMBL24495719 | 0.82 | CES2 (0.43) | KCNH2BCHEACHECES2CES1 | |
| SCHEMBL20415256 | 0.78 | EGFR (0.49) | CES2CES1MAOBNPSR1MEN1 | |
| SCHEMBL20415230 | 0.76 | CES2 (0.53) | CES2CES1MAOBNPSR1MEN1 | |
| SCHEMBL10497754 | 0.75 | CES2 (0.67) | CES2CES1LMNAMAPT | |
| SCHEMBL29073232 | 0.75 | CES2 (0.55) | CES2CES1MAOBNPSR1MEN1 | |
| SCHEMBL2989494 | 0.75 | CES2 (0.65) | CES2CES1MEN1ALDH1A1LMNA | |
| SCHEMBL28653274 | 0.74 | ALDH1A1 (0.50) | CES2CES1NPSR1MEN1ALDH1A1 | |
| SCHEMBL28623785 | 0.74 | CES2 (0.57) | CES2CES1NPSR1MEN1LMNA |
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-1638946-A2 | 2-AMINOETHYL SUBSTITUTED PYRIMIDIN-2-ONES, CYCLOPROPANES, PYRAZOLINES, PYRIMIDINES AND BENZOTHIAZEPINES AND THEIR USE AS UROTENSIN II UROTENSINI II AND SOMATOSTATINS 5 RECEPTOR LIGANDS | Acadia Pharmaceuticals Inc. (US) | 2006-03-29 | — | — | EP | disclosed |
| WO-2004073642-A2 | 2-AMINOETHYL SUBSTITUTED PYRIMIDIN-2-ONES, CYCLOPROPANES, PYRAZOLINES, PYRIMIDINES AND BENZOTHIAZEPINES AND THEIR USE AS UROTENSIN II AND SOMATOSTATIN 5 RECEPTOR LIGANDS | ACADIA PHARMACEUTICALS INC. (US) | 2004-09-02 | — | — | WO | disclosed |