Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | AKR1B10 | O60218 | 7/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 7/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15960946 | 0.85 | ESR1 (0.62) | TYRESR1CA12CA1CA2 | |
| SCHEMBL9820509 | 0.80 | CA12 (0.68) | TYRCA12CA1CA2CA7 | |
| SCHEMBL9820613 | 0.78 | APP (0.57) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL8417663 | 0.77 | AKR1B10 (0.58) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL8417660 | 0.77 | AKR1B10 (0.58) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL9820601 | 0.77 | ESR1 (0.46) | TYRESR1CA12CA1CA2 | |
| SCHEMBL8417664 | 0.76 | ALDH1A1 (0.49) | TYRESR1CA12CA1CA2 | |
| SCHEMBL28656283 | 0.75 | ESR1 (0.46) | TYRESR1CA12CA1CA2 | |
| SCHEMBL18993841 | 0.74 | AKR1B10 (0.49) | TYRESR1CA12CA1CA2 | |
| SCHEMBL9774036 | 0.74 | CA12 (0.62) | TYRESR1CA12CA1CA2 |
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-0240184-B1 | ALPHA-METHYLCINNAMIC ACID ESTER DERIVATIVE AND LIQUID CRYSTAL COMPOSITION | MITSUBISHI RAYON CO., LTD. (JP) | 1991-08-21 | — | — | EP | disclosed |
| US-4751018-A | DISCOLORATION INHIBITION | MITSUBISHI RAYON COMPANY LTD. (JP) | 1988-06-14 | — | — | US | disclosed |
| EP-0240184-A2 | Alpha-Methylcinnamic acid ester derivative and liquid crystal composition | MITSUBISHI RAYON CO., LTD. (JP) | 1987-10-07 | — | — | EP | disclosed |