Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.51 |
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | KDR | P35968 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 3/20 | 0.50 |
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA7 | P43166 | 3/20 | 0.50 |
| ▸ | CA9 | Q16790 | 3/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2852476 | 0.80 | LMNA (0.49) | ESR1TSHRALDH1A1CHRM1SLC6A2 | |
| SCHEMBL9132930 | 0.77 | ESR1 (0.51) | ESR1TSHRALDH1A1CHRM1SLC6A2 | |
| SCHEMBL5168689 | 0.75 | MAPK1 (0.49) | ESR1TSHRALDH1A1CHRM1SLC6A2 | |
| SCHEMBL5698715 | 0.73 | ESR1 (0.46) | ESR1TSHRALDH1A1CHRM1SLC6A2 | |
| SCHEMBL6256600 | 0.73 | ESR1 (0.51) | ESR1TSHRALDH1A1CHRM1SLC6A2 | |
| SCHEMBL17230529 | 0.73 | ESR1 (0.56) | ESR1TSHRALDH1A1CHRM1SLC6A2 | |
| SCHEMBL15253427 | 0.73 | CYP2D6 (0.55) | TSHRALDH1A1SLC6A2TDP1MAPK1 | |
| SCHEMBL23151968 | 0.72 | ESR1 (0.54) | ESR1TSHRALDH1A1CHRM1SLC6A2 | |
| SCHEMBL23040641 | 0.72 | ESR1 (0.42) | ESR1TSHRALDH1A1CHRM1SLC6A2 | |
| SCHEMBL23380422 | 0.72 | ELANE (0.45) | ESR1TSHRALDH1A1CHRM1SLC6A2 |
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-0299789-B1 | MESOMORPHIC COMPOUND HAVING ALKYL BETA-HYDROXYCARBOXYLATE AS CHIRAL GROUP AND LIQUID CRYSTAL COMPOSITION CONTAINING SAME | MITSUBISHI RAYON CO., LTD. (JP) | 1992-05-20 | — | — | EP | disclosed |