Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | ESRRG | P62508 | 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 | |
|---|---|---|---|---|
| SCHEMBL6366391 | 0.76 | RAPGEF4 (0.39) | TSHRALDH1A1TDP1AR | |
| SCHEMBL19765500 | 0.72 | ESR1 (0.56) | ESR1ALOX15HPGDHSD17B10CYP3A4 | |
| SCHEMBL69586 | 0.70 | ALDH1A1 (0.56) | ESR1ALOX15HPGDHSD17B10CYP3A4 | |
| SCHEMBL16105675 | 0.69 | ESR1 (0.46) | ESR1ALOX15HPGDHSD17B10CYP3A4 | |
| SCHEMBL29472991 | 0.69 | ALDH1A1 (0.54) | ESR1ALOX15HPGDHSD17B10CYP3A4 | |
| SCHEMBL2618674 | 0.69 | ALDH1A1 (0.54) | ESR1ALOX15HPGDHSD17B10CYP3A4 | |
| SCHEMBL21580221 | 0.67 | TTR (0.41) | ALDH1A1ARGPR35 | |
| SCHEMBL19229032 | 0.66 | ESR1 (0.31) | ESR1 | |
| SCHEMBL9451822 | 0.65 | ALOX15 (0.45) | ESR1ALOX15HPGDHSD17B10CYP3A4 | |
| SCHEMBL21392691 | 0.65 | ESR1 (0.48) | ESR1ALOX15HPGDHSD17B10CYP3A4 |
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-0640590-A1 | Process for the synthesis of 4-mercaptophenols and naphthalenols | Bristol-Myers Company (US) | 1995-03-01 | — | — | EP | disclosed |
| US-5321046-A | Hypocholesterolemic unsymmetrical dithiol ketals | BRISTOL-MYERS SQUIBB COMPANY (US) | 1994-06-14 | — | — | US | disclosed |
| EP-0482342-A2 | Hypocholesterolemic unsymmetrical dithiol ketals | Bristol-Myers Squibb Company (US) | 1992-04-29 | — | — | EP | disclosed |