Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.43 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16690714 | 0.93 | CYP2D6 (0.47) | CYP2D6CYP2C9CYP2C19CYP1A2LMNA | |
| SCHEMBL14066212 | 0.92 | ITGA4 (0.48) | CYP2D6CYP2C9CYP2C19CYP1A2LMNA | |
| SCHEMBL27703141 | 0.91 | CYP2D6 (0.49) | CYP2D6CYP2C9CYP2C19CYP1A2LMNA | |
| SCHEMBL27703142 | 0.91 | CYP2D6 (0.49) | CYP2D6CYP2C9CYP2C19CYP1A2LMNA | |
| SCHEMBL1491432 | 0.87 | CYP2D6 (0.47) | CYP2D6CYP2C9CYP2C19CYP1A2LMNA | |
| SCHEMBL1491427 | 0.87 | CYP2D6 (0.47) | CYP2D6CYP2C9CYP2C19CYP1A2LMNA | |
| SCHEMBL1491732 | 0.85 | ALDH1A1 (0.44) | CYP2D6CYP2C9CYP2C19CYP1A2LMNA | |
| SCHEMBL1491730 | 0.85 | ALDH1A1 (0.44) | CYP2D6CYP2C9CYP2C19CYP1A2LMNA | |
| SCHEMBL21301591 | 0.84 | ALDH1A1 (0.44) | LMNAALDH1A1OPRK1L3MBTL1POLB | |
| SCHEMBL6352623 | 0.82 | CYP2D6 (0.45) | CYP2D6CYP2C9CYP2C19CYP1A2LMNA |
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-3530290-A1 | ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE | GlaxoSmithKline Intellectual Property Development Limited (GB) | 2019-08-28 | — | — | EP | disclosed |