Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | PLAU | P00749 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL30924172 | 0.85 | SLC1A3 (0.54) | CYP1A2MAPTTDP1MRGPRX4SLC1A3 | |
| SCHEMBL1321228 | 0.85 | SLC1A3 (0.54) | CYP1A2MAPTTDP1MRGPRX4SLC1A3 | |
| SCHEMBL29503741 | 0.79 | CYP1A2 (0.50) | CYP1A2CYP2D6CYP2C19HIF1ACYP3A4 | |
| SCHEMBL13609729 | 0.79 | CYP1A2 (0.50) | CYP1A2CYP2D6CYP2C19HIF1ACYP3A4 | |
| SCHEMBL12128717 | 0.78 | CYP1A2 (0.46) | CYP1A2CYP2D6CYP2C19HIF1ACYP3A4 | |
| SCHEMBL9677464 | 0.75 | LMNA (0.48) | ALDH1A1TDP1L3MBTL1MEN1KMT2A | |
| SCHEMBL1998527 | 0.75 | MEN1 (0.59) | CYP1A2ALDH1A1HPGDTDP1HTT | |
| SCHEMBL111606 | 0.75 | EPHX1 (0.54) | CYP1A2CYP2D6CYP2C19ALDH1A1HSD17B10 | |
| SCHEMBL22721793 | 0.74 | PTPN22 (0.47) | — | |
| SCHEMBL30437401 | 0.74 | KMT2A (0.50) | CYP1A2CYP2D6ALDH1A1TDP1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2616477-A2 | 6-SUBSTITUTED DEMETHYL-ESTRADIOL DERIVATIVES AS ER-BETA AGONISTS | Endece, LLC (US) | 2013-07-24 | — | — | EP | claimed |
| WO-2012037261-A2 | 6-SUBSTITUTED DEMETHYL-ESTRADIOL DERIVATIVES AS ER-BETA AGONISTS | ENDECE, LLC (US) | 2012-03-22 | — | — | WO | claimed |
| EP-2616477-A2 | 6-SUBSTITUTED DEMETHYL-ESTRADIOL DERIVATIVES AS ER-BETA AGONISTS | Endece, LLC (US) | 2013-07-24 | — | — | EP | disclosed |
| WO-2012037261-A2 | 6-SUBSTITUTED DEMETHYL-ESTRADIOL DERIVATIVES AS ER-BETA AGONISTS | ENDECE, LLC (US) | 2012-03-22 | — | — | WO | disclosed |