Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL10394124 | 0.99 | ROCK2 (0.35) | ROCK2KDM4ESLC6A3SLC6A2SLC6A4 | |
| SCHEMBL9640583 | 0.93 | CCR4 (0.36) | ROCK2KDM4ESLC6A3SLC6A2SLC6A4 | |
| Bromide SCHEMBL10393937 | 0.92 | CCR4 (0.36) | ROCK2KDM4ESLC6A3SLC6A2SLC6A4 | |
| SCHEMBL9639485 | 0.89 | CYP3A4 (0.36) | ROCK2KDM4E | |
| Bromide SCHEMBL10393772 | 0.88 | CYP3A4 (0.36) | ROCK2KDM4E | |
| Hydrochloric Acid SCHEMBL10394208 | 0.88 | CYP3A4 (0.36) | ROCK2KDM4E | |
| SCHEMBL9640466 | 0.82 | CYP3A4 (0.37) | KDM4ESLC6A3SLC6A2SLC6A4 | |
| SCHEMBL9639322 | 0.81 | CYP3A4 (0.36) | KDM4E | |
| SCHEMBL9640340 | 0.81 | CYP3A4 (0.36) | KDM4E | |
| SCHEMBL9640335 | 0.81 | CYP3A4 (0.45) | KDM4ESLC6A3SLC6A2SLC6A4 |
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-0349609-B1 | AMINOACID ESTERS, PROCESS FOR THEIR MANUFACTURE AND THEIR USE | Dr. Willmar Schwabe GmbH & Co. (DE) | 1992-08-05 | — | — | 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 |