Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | EP300 | Q09472 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.33 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.33 |
| ▸ | GGT1 | P19440 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29288035 | 0.96 | PGR (0.40) | SLC6A3ESR1SLC6A2PGRCHRM2 | |
| SCHEMBL6719363 | 0.87 | KDM4E (0.35) | SLC6A3ESR1SLC6A2PGRCHRM2 | |
| SCHEMBL9648799 | 0.82 | ESR1 (0.38) | SLC6A3ESR1SLC6A2PGRCHRM2 | |
| SCHEMBL18982990 | 0.80 | SLC6A3 (0.45) | SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL5332173 | 0.78 | SLC6A3 (0.36) | SLC6A3SLC6A2DHODHSLC6A4 | |
| SCHEMBL7531500 | 0.77 | PGR (0.42) | SLC6A3ESR1SLC6A2PGRCHRM2 | |
| SCHEMBL18489316 | 0.76 | ESR1 (0.35) | SLC6A3ESR1SLC6A2PGRCHRM2 | |
| SCHEMBL28521093 | 0.75 | ELANE (0.34) | SLC6A3ESR1SLC6A2HIF1AKDM4E | |
| SCHEMBL9345533 | 0.74 | LMNA (0.35) | SLC6A3ESR1SLC6A2PGRCHRM2 | |
| SCHEMBL3448202 | 0.74 | ESR1 (0.34) | SLC6A3ESR1SLC6A2PGRCHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3184504-A1 | METHODS OF PREPARING ALPHA,BETA-UNSATURATED OR ALPHA-HALO KETONES AND ALDEHYDES | International Flavors & Fragrances Inc. (US) | 2017-06-28 | — | — | EP | disclosed |
| EP-0736018-A1 | 4,5-DIARYLOXAZOLE DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1996-10-09 | — | — | EP | disclosed |