Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.70 |
| ▸ | TSHR | P16473 | 3/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.70 |
| ▸ | LMNA | P02545 | 2/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.70 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.70 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.70 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.64 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.64 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.64 |
| ▸ | KDR | P35968 | 1/20 | 0.64 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.58 |
| ▸ | CA12 | O43570 | 2/20 | 0.58 |
| ▸ | CA1 | P00915 | 2/20 | 0.58 |
| ▸ | CA2 | P00918 | 2/20 | 0.58 |
| ▸ | CA7 | P43166 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL26246258 | 1.00 | ESR1 (0.70) | ESR1TSHRSMN1; SMN2CYP2D6LMNA | |
| SCHEMBL22271508 | 0.98 | ESR1 (0.72) | ESR1TSHRSMN1; SMN2CYP2D6LMNA | |
| SCHEMBL8638754 | 0.91 | ESR1 (0.76) | ESR1TSHRSMN1; SMN2CYP2D6LMNA | |
| SCHEMBL9674690 | 0.91 | ESR1 (0.76) | ESR1TSHRSMN1; SMN2CYP2D6LMNA | |
| SCHEMBL1548913 | 0.91 | ESR1 (0.76) | ESR1TSHRSMN1; SMN2CYP2D6LMNA | |
| SCHEMBL10760934 | 0.91 | ESR1 (0.76) | ESR1TSHRSMN1; SMN2CYP2D6LMNA | |
| SCHEMBL2880231 | 0.89 | ESR1 (0.79) | ESR1TSHRSMN1; SMN2CYP2D6LMNA | |
| SCHEMBL756904 | 0.87 | ESR1 (0.70) | ESR1TSHRSMN1; SMN2CYP2D6LMNA | |
| SCHEMBL1263037 | 0.86 | ESR1 (0.87) | ESR1TSHRSMN1; SMN2CYP2D6LMNA | |
| Hexyl 4-Hydroxybenzoate SCHEMBL374758 | 0.86 | ESR1 (0.87) | ESR1TSHRSMN1; SMN2CYP2D6LMNA |
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 |
|---|---|---|---|---|---|---|---|
| JP-2001019666-A | PHENYL ESTER COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME | MITSUBISHI GAS CHEM CO INC | 2001-01-23 | — | — | JP | disclosed |