Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 12/20 | 0.95 |
| ▸ | CES1 | P23141 | 11/20 | 0.95 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | XBP1 | P17861 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL15180810 | 0.97 | CES2 (1.00) | CES2CES1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL180411 | 0.97 | CES2 (1.00) | CES2CES1CYP1A2CYP3A4CYP2C9 | |
| Water SCHEMBL17802791 | 0.95 | CES2 (0.95) | CES2CES1CYP1A2CYP3A4CYP2C9 | |
| Benzil SCHEMBL1481339 | 0.86 | CES2 (0.80) | CES2CES1CYP1A2CYP3A4CYP2C9 | |
| Ethyne SCHEMBL28932764 | 0.86 | CES2 (0.78) | CES2CES1LMNAMAPTRAB9A | |
| Benzil SCHEMBL2252919 | 0.83 | CES2 (0.82) | CES2CES1LMNAMAPTALDH1A1 | |
| Benzil SCHEMBL4814635 | 0.83 | CES2 (0.82) | CES2CES1LMNAMAPTALDH1A1 | |
| Benzil SCHEMBL10455171 | 0.83 | CES2 (0.93) | CES2CES1CYP3A4CYP2C19LMNA | |
| Benzaldehyde SCHEMBL14150649 | 0.83 | CES2 (0.72) | CES2CES1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL5740300 | 0.82 | CES2 (0.73) | CES2CES1CYP1A2CYP3A4CYP2C9 |
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-1476446-B1 | METHOD FOR PRODUCING N-ETHYL-N-( 3-(3-CYANOPYRAZOLO-(1,5A)-PYRIMIDINE-7-YL)PHENYL)-ACETAMIDE | CILAG AG (CH) | 2007-08-01 | — | — | EP | disclosed |
| EP-1476446-A1 | METHOD FOR PRODUCING N-ETHYL-N- 3-(3-CYANOPYRAZOLO 1,5A]PYRIMIDINE-7-YL)PHENYL ACETAMIDE | Cilag AG (CH) | 2004-11-17 | — | — | EP | disclosed |