Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL10393939 | 0.99 | CYP3A4 (0.36) | CYP3A4CYP2D6CYP1A2CYP2C19ELANE | |
| SCHEMBL9640466 | 0.90 | CYP3A4 (0.37) | CYP3A4CYP2D6CYP1A2CYP2C19ELANE | |
| SCHEMBL9639488 | 0.89 | CYP1A2 (0.35) | CYP3A4CYP2D6CYP1A2CYP2C19ELANE | |
| SCHEMBL9639485 | 0.89 | CYP3A4 (0.36) | CYP3A4CYP2D6CYP1A2CYP2C19ELANE | |
| SCHEMBL9640340 | 0.89 | CYP3A4 (0.36) | CYP3A4CYP2D6CYP1A2CYP2C19ELANE | |
| SCHEMBL9640335 | 0.88 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP1A2CYP2C19ELANE | |
| Bromide SCHEMBL10394849 | 0.88 | CYP1A2 (0.35) | CYP3A4CYP2D6CYP1A2CYP2C19ELANE | |
| Hydrochloric Acid SCHEMBL10394208 | 0.88 | CYP3A4 (0.36) | CYP3A4CYP2D6CYP1A2CYP2C19ELANE | |
| Bromide SCHEMBL10393772 | 0.88 | CYP3A4 (0.36) | CYP3A4CYP2D6CYP1A2CYP2C19ELANE | |
| Bromide SCHEMBL10393773 | 0.88 | CYP3A4 (0.36) | 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 3 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 |
| 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 |