Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.42 |
| ▸ | TACR2 | P21452 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | SHBG | P04278 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 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 | |
|---|---|---|---|---|
| Raspberryketone SCHEMBL28249453 | 0.81 | CYP1A2 (0.58) | CYP1A2SLC6A2SLC6A4SLC6A3CA3 | |
| SCHEMBL7286647 | 0.79 | CYP1A2 (0.53) | CYP1A2SLC6A2SLC6A4SLC6A3PRKCA | |
| SCHEMBL25253641 | 0.79 | CYP26A1 (0.43) | CYP1A2SLC6A2SLC6A4SLC6A3CA3 | |
| SCHEMBL863394 | 0.75 | CYP1A2 (0.69) | CYP1A2CHRM2CHRM5CHRM1CHRM3 | |
| SCHEMBL864299 | 0.75 | CYP1A2 (0.69) | CYP1A2CHRM2CHRM5CHRM1CHRM3 | |
| SCHEMBL863720 | 0.75 | CYP1A2 (0.69) | CYP1A2CHRM2CHRM5CHRM1CHRM3 | |
| SCHEMBL864202 | 0.75 | CYP1A2 (0.69) | CYP1A2CHRM2CHRM5CHRM1CHRM3 | |
| SCHEMBL7398398 | 0.74 | SPHK1 (0.40) | CYP1A2 | |
| SCHEMBL7403926 | 0.73 | CYP1A2 (0.40) | CYP1A2TP53HSD17B10GRM2PRKCA | |
| SCHEMBL864366 | 0.73 | CYP1A2 (0.66) | CYP1A2PPARGPRKCA |
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-0395078-A1 | Optically active lactone derivative, liquid-crystal composition, and liquid-crystal display device | DAINIPPON INK AND CHEMICALS, INC. (JP) | 1990-10-31 | — | — | EP | disclosed |