Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8079447 | 0.80 | TAAR1 (0.53) | TAAR1ALDH1A1POLB | |
| SCHEMBL3645367 | 0.79 | TAAR1 (0.71) | TAAR1ALDH1A1KDM4EPOLBHPGD | |
| SCHEMBL8086177 | 0.71 | RAF1 (0.53) | TAAR1ALDH1A1CYP2C19 | |
| SCHEMBL25872256 | 0.69 | ALDH1A1 (0.55) | ALDH1A1KDM4EHPGDSMN1; SMN2CYP1A2 | |
| SCHEMBL3643347 | 0.68 | TAAR1 (0.71) | TAAR1ALDH1A1POLBSMN1; SMN2GAA | |
| SCHEMBL12707417 | 0.67 | MEN1 (0.57) | ALDH1A1POLBSMN1; SMN2GAACYP1A2 | |
| SCHEMBL3748247 | 0.67 | TAAR1 (0.70) | TAAR1ALDH1A1POLBSMN1; SMN2RAB9A | |
| SCHEMBL3638666 | 0.66 | TAAR1 (0.74) | TAAR1SMN1; SMN2CYP2C9 | |
| SCHEMBL4247984 | 0.66 | TAAR1 (0.80) | TAAR1SMN1; SMN2 | |
| SCHEMBL3643138 | 0.66 | TAAR1 (0.68) | TAAR1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009016088-A1 | THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-02-05 | — | — | WO | disclosed |