Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 5/20 | 0.46 |
| ▸ | CES2 | O00748 | 4/20 | 0.46 |
| ▸ | ESR1 | P03372 | 3/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9312358 | 0.87 | CES2 (0.47) | ATMCES1CES2ESR1CYP19A1 | |
| SCHEMBL9311938 | 0.81 | CES2 (0.50) | ATMCES1CES2ESR1L3MBTL1 | |
| SCHEMBL10902335 | 0.80 | CES2 (0.53) | CES1CES2L3MBTL1LMNAMAPT | |
| SCHEMBL2767081 | 0.80 | ATM (0.48) | ATMCES1CES2ESR1CYP19A1 | |
| SCHEMBL2767079 | 0.80 | ATM (0.48) | ATMCES1CES2ESR1CYP19A1 | |
| SCHEMBL487600 | 0.80 | ESR1 (0.45) | ATMCES1CES2ESR1CYP19A1 | |
| SCHEMBL453359 | 0.79 | ATM (0.52) | ATMCES1CES2ESR1CYP19A1 | |
| SCHEMBL12231430 | 0.79 | CES2 (0.39) | ATMCES1CES2ESR1CYP19A1 | |
| SCHEMBL12231429 | 0.79 | CES2 (0.39) | ATMCES1CES2ESR1CYP19A1 | |
| SCHEMBL28148537 | 0.78 | ESR1 (0.53) | ATMCES1CES2ESR1CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1824952-B1 | ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2010-04-28 | — | — | EP | claimed |
| US-5326489-A | Sulfonated polymer | NIPPON SHOKUBAI CO., LTD. (JP) | 1994-07-05 | — | — | US | disclosed |
| EP-0523300-B1 | Electrorheological fluids | NIPPON CATALYTIC CHEM IND (JP) | 1994-01-19 | — | — | EP | disclosed |
| EP-0523300-A1 | Electrorheological fluids | NIPPON SHOKUBAI KAGAKU KOGYO CO. LTD. (JP) | 1993-01-20 | — | — | EP | disclosed |