Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 9/20 | 0.39 |
| ▸ | CES1 | P23141 | 8/20 | 0.39 |
| ▸ | PHGDH | O43175 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5712745 | 0.77 | ALDH1A1 (0.40) | CYP1A2CYP2C9GAASMN1; SMN2KMT2A | |
| SCHEMBL6656475 | 0.70 | GAA (0.52) | CYP1A2CYP2C9GAASMN1; SMN2ALDH1A1 | |
| SCHEMBL8574337 | 0.67 | CES2 (0.78) | RAB9ACES2CES1GAAALDH1A1 | |
| Benzil SCHEMBL1422480 | 0.67 | CES2 (0.78) | RAB9ACES2CES1EGFRALDH1A1 | |
| SCHEMBL375035 | 0.65 | ALDH1A1 (0.62) | RAB9ACES2CES1GAASMN1; SMN2 | |
| Benzil SCHEMBL9842480 | 0.65 | CES2 (0.74) | RAB9ACES2CES1SMN1; SMN2EGFR | |
| Benzil SCHEMBL3416500 | 0.65 | CES2 (0.74) | RAB9ACES2CES1SMN1; SMN2EGFR | |
| Benzil SCHEMBL27650877 | 0.65 | CES2 (0.74) | RAB9ACES2CES1SMN1; SMN2EGFR | |
| Benzil SCHEMBL1578185 | 0.65 | CES2 (0.74) | RAB9ACES2CES1SMN1; SMN2EGFR | |
| Benzil SCHEMBL546796 | 0.65 | CES2 (0.74) | RAB9ACES2CES1SMN1; SMN2EGFR |
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-0999835-A4 | IMIDAZOLE DERIVATIVES AS MDR MODULATORS | ONTOGEN CORP (US) | 2004-08-25 | — | — | EP | disclosed |
| EP-0999835-A1 | IMIDAZOLE DERIVATIVES AS MDR MODULATORS | Ontogen Corporation (US) | 2000-05-17 | — | — | EP | disclosed |
| WO-1999002155-A1 | IMIDAZOLE DERIVATIVES AS MDR MODULATORS | ONTOGEN CORPORATION (US) | 1999-01-21 | — | — | WO | disclosed |