Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | ESRRG | P62508 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | LTA4H | P09960 | 3/20 | 0.44 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7601131 | 0.94 | S1PR1 (0.49) | CYP3A4S1PR1KDM4EALDH1A1MEN1 | |
| SCHEMBL12846186 | 0.91 | ESR1 (0.48) | ESR1CYP3A4ESR2ARHPGD | |
| SCHEMBL11480102 | 0.88 | LTA4H (0.50) | S1PR1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL28335584 | 0.87 | S1PR1 (0.47) | ESR1CYP3A4ESR2S1PR1KDM4E | |
| SCHEMBL15480485 | 0.86 | LTA4H (0.52) | S1PR1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL20486392 | 0.86 | S1PR1 (0.48) | ESR1CYP3A4ESR2S1PR1KDM4E | |
| SCHEMBL12870707 | 0.84 | KDM4E (0.42) | ESR1CYP3A4ESR2ARHPGD | |
| SCHEMBL6425890 | 0.83 | NR5A1 (0.53) | S1PR1KDM4EALDH1A1HTTLTA4H | |
| SCHEMBL11278588 | 0.81 | KDM4E (0.44) | CYP3A4S1PR1KDM4EALDH1A1MEN1 | |
| SCHEMBL13567687 | 0.80 | LTA4H (0.68) | ESR1CYP3A4ESR2ARHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-4316838-A | SALT OF AN ETHER SULFONATE | TEIJIN CHEMICALS LTD. (JP) | 1982-02-23 | — | — | US | disclosed |
| US-4285855-A | A POLYCARBONATE BASED ON A DIHYDRIC PHENOL AND A COMPOUND OR RESIN HAVING CARBONATE GROUPS AND ALKALI OR ALKALINE METAL SULFONATE GROUPS | TEIJIN CHEMICALS LTD. (JP) | 1981-08-25 | — | — | US | disclosed |
| US-4222910-A | SULFURIC ESTER OF AN ALCOHOL OR A METAL SULFONATE COMPOUND | TEIJIN CHEMICALS, LTD. (JP) | 1980-09-16 | — | — | US | disclosed |