Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.57 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.57 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.49 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL13370393 | 1.00 | ESR1 (0.57) | ESR1CYP19A1ESR2MAPK1TDP1 | |
| SCHEMBL29105352 | 0.90 | ESR1 (0.49) | ESR1CYP19A1ESR2MAPK1TDP1 | |
| SCHEMBL11025397 | 0.88 | MAPK1 (0.53) | ESR1CYP19A1ESR2MAPK1TDP1 | |
| SCHEMBL11024033 | 0.85 | CYP3A4 (0.49) | ESR1CYP19A1ESR2MAPK1CES1 | |
| SCHEMBL3629746 | 0.83 | ESR1 (0.56) | ESR1CYP19A1ESR2MAPK1TDP1 | |
| SCHEMBL11099375 | 0.81 | MAPK1 (0.66) | ESR1CYP19A1ESR2MAPK1TDP1 | |
| SCHEMBL11099376 | 0.81 | MAPK1 (0.66) | ESR1CYP19A1ESR2MAPK1TDP1 | |
| SCHEMBL18863036 | 0.78 | ESR1 (0.62) | ESR1CYP19A1ESR2MAPK1TDP1 | |
| SCHEMBL5279624 | 0.77 | CES2 (0.50) | ESR1CYP19A1ESR2CES1CES2 | |
| SCHEMBL7174103 | 0.77 | CES2 (0.50) | ESR1CYP19A1ESR2CES1CES2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0067954-B1 | ORGANIC PHOTOCONDUCTIVE COMPOSITIONS FOR ELECTROPHOTOGRAPHY | KABUSHIKI KAISHA TOSHIBA (JP) | 1985-08-28 | — | — | EP | claimed |
| EP-2514745-A1 | GPR120 receptor agonists and uses thereof | Metabolex Inc. (US) | 2012-10-24 | — | — | EP | disclosed |