Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.69 |
| ▸ | TSHR | P16473 | 4/20 | 0.69 |
| ▸ | LMNA | P02545 | 2/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.69 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.69 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.69 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.55 |
| ▸ | KDR | P35968 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | CA7 | P43166 | 2/20 | 0.54 |
| ▸ | CA9 | Q16790 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL9734263 | 1.00 | ESR1 (0.69) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL9448785 | 0.96 | ESR1 (0.64) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL30876052 | 0.90 | TSHR (0.54) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL20443736 | 0.90 | TSHR (0.54) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL20437093 | 0.85 | TSHR (0.49) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL9448967 | 0.84 | CA12 (0.66) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL9734838 | 0.84 | CA12 (0.66) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL9458778 | 0.84 | ESR1 (0.51) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| Butylparaben SCHEMBL3647 | 0.82 | ESR1 (1.00) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| Butylparaben SCHEMBL5789201 | 0.82 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5118442-A | Photochemical stability; low temperature range; rapid response | MITSUBISHI PETROCHEMICAL CO., LTD. (JP) | 1992-06-02 | — | — | US | disclosed |
| EP-0410142-A2 | Optically active liquid crystal compounds | MITSUBISHI PETROCHEMICAL CO., LTD. (JP) | 1991-01-30 | — | — | EP | disclosed |