Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.66 |
| ▸ | TSHR | P16473 | 3/20 | 0.66 |
| ▸ | LMNA | P02545 | 3/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.66 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.66 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.65 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.65 |
| ▸ | KDR | P35968 | 1/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.65 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | CA7 | P43166 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL9488555 | 0.89 | ESR1 (0.67) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL9487983 | 0.86 | ESR1 (0.66) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL9471988 | 0.84 | ESR1 (0.66) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL9441336 | 0.81 | ESR1 (0.67) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| Butylparaben SCHEMBL31393220 | 0.81 | ESR1 (0.93) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| Butylparaben SCHEMBL649214 | 0.81 | ESR1 (0.93) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| Propylparaben SCHEMBL10582852 | 0.81 | ESR1 (0.86) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| Butylparaben SCHEMBL5789201 | 0.80 | ESR1 (1.00) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| Butylparaben SCHEMBL3647 | 0.80 | ESR1 (1.00) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| Propylparaben SCHEMBL977 | 0.80 | ESR1 (1.00) | ESR1TSHRLMNACYP1A2CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0255962-B1 | OPTICALLY ACTIVE MESOMORPHIC COMPOUND | CANON KABUSHIKI KAISHA (JP) | 1993-01-27 | — | — | EP | disclosed |
| US-5143643-A | Liquid crystals | CANON KABUSHIKI KAISHA (JP) | 1992-09-01 | — | — | US | disclosed |
| EP-0255962-A2 | Optically active mesomorphic compound | CANON KABUSHIKI KAISHA (JP) | 1988-02-17 | — | — | EP | disclosed |