Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9639884 | 0.85 | ESR1 (0.34) | CYP3A4CYP2C19ALDH1A1KDM1AMAPT | |
| SCHEMBL9639897 | 0.84 | MEN1 (0.39) | CYP3A4CYP2C19CYP2C9ALDH1A1MAPT | |
| SCHEMBL3189767 | 0.82 | ACP3 (0.38) | CYP3A4CYP2C19CYP2C9ALDH1A1HTT | |
| SCHEMBL9639327 | 0.74 | ALDH1A1 (0.33) | ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL9640340 | 0.72 | CYP3A4 (0.36) | CYP3A4CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL19243941 | 0.70 | BRD4 (0.35) | CYP3A4CYP2C19CYP2C9ALDH1A1HTT | |
| SCHEMBL4664940 | 0.64 | — | — | |
| SCHEMBL10358232 | 0.64 | CYP3A4 (0.46) | CYP3A4CYP2C19ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL3188685 | 0.63 | KMT2A (0.38) | CYP2C19CYP2C9ALDH1A1CYP1A2 | |
| SCHEMBL6205005 | 0.62 | CYP2C19 (0.45) | CYP3A4CYP2C19CYP2C9ALDH1A1ALOX15 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0349609-B1 | AMINOACID ESTERS, PROCESS FOR THEIR MANUFACTURE AND THEIR USE | Dr. Willmar Schwabe GmbH & Co. (DE) | 1992-08-05 | — | — | EP | disclosed |
| US-4965283-A | Anticonvillsants, antiepileptic agents | DR. WILLMAR SCHWABE GMBH & CO. (DE) | 1990-10-23 | — | — | US | disclosed |
| EP-0349609-A1 | AMINOACID ESTERS, PROCESS FOR THEIR MANUFACTURE AND THEIR USE | Dr. Willmar Schwabe GmbH & Co. (DE) | 1990-01-10 | — | — | EP | disclosed |
| WO-1989004310-A1 | AMINOACID ESTERS, PROCESS FOR THEIR MANUFACTURE AND THEIR USE | DR. WILLMAR SCHWABE GMBH & CO. (DE) | 1989-05-18 | — | — | WO | disclosed |