Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.60 |
| ▸ | CES2 | O00748 | 3/20 | 0.53 |
| ▸ | CES1 | P23141 | 3/20 | 0.53 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | TPMT | P51580 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.37 |
| ▸ | PTPN11 | Q06124 | 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 | |
|---|---|---|---|---|
| SCHEMBL627867 | 0.86 | CES2 (0.64) | CES2CES1TDP1L3MBTL1LMNA | |
| SCHEMBL5525568 | 0.83 | CES2 (0.55) | CES2CES1TDP1L3MBTL1LMNA | |
| SCHEMBL2976217 | 0.83 | LMNA (0.57) | CES2CES1PDPK1TDP1L3MBTL1 | |
| SCHEMBL5318489 | 0.82 | GSK3B (0.56) | GSK3BCES2CES1PDPK1TPMT | |
| SCHEMBL682581 | 0.81 | CES2 (0.53) | CES2CES1TDP1L3MBTL1LMNA | |
| SCHEMBL627839 | 0.81 | CES2 (0.53) | CES2CES1PDPK1TDP1L3MBTL1 | |
| SCHEMBL10824473 | 0.80 | CES2 (0.52) | CES2CES1TDP1L3MBTL1LMNA | |
| SCHEMBL28878867 | 0.79 | ALDH1A1 (0.53) | CES2CES1TDP1L3MBTL1LMNA | |
| SCHEMBL16682291 | 0.79 | CES2 (0.50) | CES2CES1PDPK1TDP1L3MBTL1 | |
| SCHEMBL1429237 | 0.79 | ALDH1A1 (0.50) | CES2CES1TDP1L3MBTL1LMNA |
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-1501819-B1 | ESTROGEN RECEPTOR MODULATORS | MERCK SHARP & DOHME (US) | 2010-09-15 | — | — | EP | disclosed |