Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.50 |
| ▸ | HTR1A | P08908 | 2/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | GFER | P55789 | 1/20 | 0.49 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.48 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | SCN1A | P35498 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11367108 | 0.98 | KMT2A (0.47) | KMT2AALDH1A1CHRM2CHRM1CYP2D6 | |
| SCHEMBL9190061 | 0.86 | CYP2D6 (0.51) | KMT2AALDH1A1CHRM2CHRM1CYP2D6 | |
| SCHEMBL4368113 | 0.85 | ALDH1A1 (0.52) | KMT2AALDH1A1OPRM1LMNAMEN1 | |
| SCHEMBL9192560 | 0.80 | CYP2D6 (0.49) | KMT2AALDH1A1CHRM2CHRM1CYP2D6 | |
| SCHEMBL3052977 | 0.79 | KMT2A (0.51) | KMT2AALDH1A1CYP2D6MEN1GFER | |
| SCHEMBL11353451 | 0.79 | CES1 (0.48) | KMT2AALDH1A1CHRM2CHRM1CYP2D6 | |
| SCHEMBL8133327 | 0.77 | CYP2D6 (0.45) | KMT2AALDH1A1CHRM2CHRM1CYP2D6 | |
| SCHEMBL11594724 | 0.75 | KMT2A (0.47) | KMT2AALDH1A1LMNAMEN1GFER | |
| SCHEMBL8570755 | 0.74 | CHRM2 (0.66) | KMT2ACHRM2CHRM1CYP2D6HTR1A | |
| SCHEMBL2371721 | 0.74 | KMT2A (0.46) | KMT2AALDH1A1CYP2D6MEN1GFER |
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 7 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 |
| CN-1681763-A | Chemical compounds | ASTRAZENECA AB (SE) | 2005-10-12 | — | — | CN | disclosed |
| EP-1549600-A1 | KETONES | AstraZeneca AB (SE) | 2005-07-06 | — | — | EP | disclosed |
| WO-2004011410-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2004-02-05 | — | — | WO | 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 |