Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.68 |
| ▸ | HPGD | P15428 | 1/20 | 0.68 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | DPP4 | P27487 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.43 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.43 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15684679 | 0.81 | CYP1A2 (1.00) | CYP1A2CYP2C9HPGDMAPK1CYP2C19 | |
| SCHEMBL6202510 | 0.80 | CYP1A2 (0.97) | CYP1A2CYP2C9HPGDMAPK1CYP2C19 | |
| SCHEMBL7619614 | 0.76 | HPGD (0.69) | CYP1A2CYP2C9HPGDMAPK1CYP2C19 | |
| SCHEMBL9367016 | 0.76 | CYP1A2 (0.64) | CYP1A2CYP2C9CYP2C19RAB9ADPP4 | |
| SCHEMBL8278787 | 0.75 | DPP4 (0.73) | CYP1A2CYP2C19KMT2ARAB9ADPP4 | |
| SCHEMBL3470666 | 0.75 | DPP4 (0.73) | CYP1A2CYP2C19KMT2ARAB9ADPP4 | |
| SCHEMBL27811710 | 0.74 | HSD17B10 (0.73) | CYP1A2CYP2C9HPGDMAPK1CYP2C19 | |
| SCHEMBL19634040 | 0.73 | MC4R (0.55) | CYP1A2CYP2C19KMT2ARAB9ADPP4 | |
| SCHEMBL6203010 | 0.73 | CYP2C19 (0.82) | CYP1A2CYP2C9HPGDMAPK1CYP2C19 | |
| SCHEMBL13315336 | 0.73 | CYP1A2 (0.82) | CYP1A2CYP2C9HPGDMAPK1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-20050272036-A1 | Ketones | ASTRAZENECA AB (SE) | 2005-12-08 | — | — | US | 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 |