Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.43 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CCL2 | P13500 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CDC25A | P30304 | 1/20 | 0.34 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.34 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.34 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27558500 | 0.80 | AADAT (0.42) | ALDH1A1OPRM1OPRK1OPRL1AADAT | |
| SCHEMBL8537197 | 0.77 | USP2 (0.44) | ALDH1A1AADATBRD4CYP2C19 | |
| SCHEMBL6825068 | 0.74 | CACNA1G (0.55) | ALDH1A1MEN1KMT2ACACNA1GCACNA1H | |
| SCHEMBL25521899 | 0.73 | MAOA (0.47) | ALDH1A1OPRM1OPRK1OPRL1AADAT | |
| SCHEMBL19410658 | 0.73 | OPRM1 (0.45) | ALDH1A1OPRM1OPRK1OPRL1AADAT | |
| SCHEMBL19410686 | 0.72 | ALDH1A1 (0.39) | ALDH1A1OPRM1OPRK1OPRL1AADAT | |
| SCHEMBL319893 | 0.72 | ALDH1A1 (0.46) | ALDH1A1OPRM1OPRK1OPRL1AADAT | |
| SCHEMBL8860196 | 0.71 | AADAT (0.46) | ALDH1A1OPRM1OPRK1OPRL1AADAT | |
| SCHEMBL769455 | 0.69 | BRD4 (0.49) | ALDH1A1OPRM1OPRK1OPRL1AADAT | |
| SCHEMBL29557464 | 0.69 | BRD4 (0.49) | ALDH1A1OPRM1OPRK1OPRL1AADAT |
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 |
|---|---|---|---|---|---|---|---|
| US-5387695-A | Precipitating one of the enantiomers in the form of the salt of a chiral acid | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1995-02-07 | — | — | US | disclosed |