Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | EGFR | P00533 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6321356 | 0.81 | CHRM2 (0.48) | CES1CYP2C19CYP2D6CYP1A2SMN1; SMN2 | |
| SCHEMBL6323256 | 0.80 | CES1 (0.42) | CES1CYP2C19CYP2D6CYP1A2SRC | |
| SCHEMBL11251444 | 0.80 | CYP1A2 (0.51) | CES1CYP2C19CYP2D6CYP1A2SRC | |
| SCHEMBL390943 | 0.79 | CES1 (0.52) | CES1CYP2C19SMN1; SMN2SRCALDH1A1 | |
| SCHEMBL11789186 | 0.79 | CES1 (0.50) | CES1CYP2C19CYP1A2SMN1; SMN2SRC | |
| SCHEMBL20545574 | 0.78 | CYP1A2 (0.53) | CES1CYP2C19CYP2D6CYP1A2SRC | |
| SCHEMBL36374 | 0.77 | CES1 (0.48) | CES1CYP2C19CYP1A2SMN1; SMN2SRC | |
| SCHEMBL452703 | 0.76 | CES1 (0.49) | CES1CYP2C19CYP2D6CYP1A2SRC | |
| Methoxymethane SCHEMBL36098 | 0.75 | CES1 (0.56) | CES1CYP2C19SMN1; SMN2SRCALDH1A1 | |
| SCHEMBL4790278 | 0.75 | CES1 (0.47) | CES1CYP2C19SMN1; SMN2SRCALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050272036-A1 | Ketones | ASTRAZENECA AB (SE) | 2005-12-08 | — | — | US | disclosed |
| EP-0008638-B1 | DERIVATIVES OF BENZOIN WITH A QUATERNARY AMINO GROUP, PROCESS FOR THEIR PREPARATION AND THEIR USE | BASF Aktiengesellschaft (DE) | 1981-09-23 | — | — | EP | disclosed |
| US-4257859-A | Benzoin photoinitiator containing a quaternary ammonium group in photo curable composition and process | BASF AKTIENGESELLSCHAFT (DE) | 1981-03-24 | — | — | US | disclosed |
| EP-0008638-A1 | Derivatives of benzoin with a quaternary amino group, process for their preparation and their use | BASF Aktiengesellschaft (DE) | 1980-03-19 | — | — | EP | disclosed |