Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 16/20 | 0.62 |
| ▸ | ESR2 | Q92731 | 13/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | AR | P10275 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.50 |
| ▸ | HTR6 | P50406 | 2/20 | 0.50 |
| ▸ | ESRRG | P62508 | 2/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | TYR | P14679 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | SHBG | P04278 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5950461 | 0.89 | ESR1 (0.46) | ESR1ESR2ARALDH1A1MEN1 | |
| SCHEMBL15976463 | 0.81 | ESR1 (0.65) | ESR1ESR2CYP3A4LMNAAR | |
| SCHEMBL22825393 | 0.80 | HRH3 (0.40) | ESR1ESR2ARHSD17B10HPGD | |
| SCHEMBL1976050 | 0.80 | TSHR (0.46) | ESR1ESR2CYP3A4LMNAAR | |
| SCHEMBL561786 | 0.80 | ESR1 (0.62) | ESR1ESR2CYP3A4LMNAAR | |
| SCHEMBL19843843 | 0.80 | ESR1 (0.62) | ESR1ESR2CYP3A4LMNAAR | |
| SCHEMBL1777181 | 0.79 | ESR1 (0.46) | ESR1ESR2CYP3A4ARTSHR | |
| SCHEMBL18905252 | 0.78 | HRH3 (0.39) | ESR1ESR2ARALDH1A1MEN1 | |
| SCHEMBL2967134 | 0.78 | HRH3 (0.39) | ESR1ESR2ARALDH1A1CYP1A2 | |
| SCHEMBL11143362 | 0.78 | MAPT (0.47) | ESR1ESR2CYP3A4LMNAAR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5374629-A | A triene steroids as anticarcinogenic agents, treating skin disorders | LEO PHARMACEUTICAL PRODUCTS LTD. A/S LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB (DK) | 1994-12-20 | — | — | US | disclosed |
| EP-0522013-B1 | NOVEL VITAMIN D ANALOGUES | LEO PHARM PROD LTD (DK) | 1994-11-23 | — | — | EP | disclosed |
| EP-0522013-A1 | NOVEL VITAMIN D ANALOGUES. | LEO PHARM PROD LTD (DK) | 1993-01-13 | — | — | EP | disclosed |
| WO-1991015475-A1 | NOVEL VITAMIN D ANALOGUES | Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) | 1991-10-17 | — | — | WO | disclosed |