Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SCN4A | P35499 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | GID4 | Q8IVV7 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9640340 | 0.90 | CYP3A4 (0.36) | CYP3A4CYP2D6CYP1A2CYP2C19ELANE | |
| SCHEMBL9639322 | 0.90 | CYP3A4 (0.36) | CYP3A4CYP2D6CYP1A2CYP2C19ELANE | |
| SCHEMBL9639485 | 0.90 | CYP3A4 (0.36) | CYP3A4CYP2D6CYP1A2CYP2C19ELANE | |
| Bromide SCHEMBL10393772 | 0.89 | CYP3A4 (0.36) | CYP3A4CYP2D6CYP1A2CYP2C19ELANE | |
| Bromide SCHEMBL10393939 | 0.89 | CYP3A4 (0.36) | CYP3A4CYP2D6CYP1A2CYP2C19ELANE | |
| Hydrochloric Acid SCHEMBL10394208 | 0.89 | CYP3A4 (0.36) | CYP3A4CYP2D6CYP1A2CYP2C19ELANE | |
| Bromide SCHEMBL10393773 | 0.89 | CYP3A4 (0.36) | CYP3A4CYP2D6CYP1A2CYP2C19ELANE | |
| SCHEMBL9639488 | 0.88 | CYP1A2 (0.35) | CYP3A4CYP2D6CYP1A2CYP2C19ELANE | |
| SCHEMBL9640335 | 0.87 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP1A2CYP2C19ELANE | |
| Bromide SCHEMBL10394849 | 0.87 | CYP1A2 (0.35) | CYP3A4CYP2D6CYP1A2CYP2C19ELANE |
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 |
|---|---|---|---|---|---|---|---|
| EP-0349609-B1 | AMINOACID ESTERS, PROCESS FOR THEIR MANUFACTURE AND THEIR USE | Dr. Willmar Schwabe GmbH & Co. (DE) | 1992-08-05 | — | — | EP | disclosed |