Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 13/20 | 0.65 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.65 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.62 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.62 |
| ▸ | ESRRA | P11474 | 6/20 | 0.57 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.57 |
| ▸ | PGR | P06401 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.57 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.57 |
| ▸ | PPARG | P37231 | 1/20 | 0.57 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.57 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | ESRRB | O95718 | 5/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL6841525 | 1.00 | ESR1 (0.65) | ESR1ESR2HDAC3HDAC6ESRRA | |
| SCHEMBL6841526 | 1.00 | ESR1 (0.65) | ESR1ESR2HDAC3HDAC6ESRRA | |
| SCHEMBL14569704 | 1.00 | ESR1 (0.65) | ESR1ESR2HDAC3HDAC6ESRRA | |
| SCHEMBL14569705 | 0.89 | ESR1 (0.64) | ESR1ESR2HDAC3HDAC6ESRRA | |
| SCHEMBL5353798 | 0.88 | LMNA (0.58) | ESR1ESR2HDAC3HDAC6ESRRA | |
| SCHEMBL14559142 | 0.88 | LMNA (0.58) | ESR1ESR2HDAC3HDAC6ESRRA | |
| SCHEMBL10627661 | 0.88 | ESR1 (0.63) | ESR1ESR2HDAC3HDAC6ESRRA | |
| SCHEMBL17302818 | 0.87 | ESR1 (0.70) | ESR1ESR2HDAC3HDAC6ESRRA | |
| SCHEMBL24684756 | 0.87 | ESR1 (0.69) | ESR1ESR2HDAC3HDAC6ESRRA | |
| SCHEMBL24102515 | 0.87 | ESR1 (0.69) | ESR1ESR2HDAC3HDAC6ESRRA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014057957-A1 | STEROID COMPOUND, AND MEDICINE COMPRISING SAME | 学校法人 早稲田大学 (JP) | 2014-04-17 | — | — | WO | disclosed |