Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | AR | P10275 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | HTR6 | P50406 | 1/20 | 0.50 |
| ▸ | ESRRG | P62508 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 2/20 | 0.39 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | RARB | P10826 | 1/20 | 0.35 |
| ▸ | RARG | P13631 | 1/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25907927 | 0.85 | SRD5A2 (0.54) | TSHRALDH1A1SRD5A2HDAC1RARB | |
| SCHEMBL739381 | 0.79 | ESR1 (0.54) | ESR1ESR2CYP3A4ARHPGD | |
| SCHEMBL71433 | 0.75 | SRD5A2 (0.65) | ESR1ESR2CYP3A4ARHPGD | |
| SCHEMBL1635858 | 0.75 | SRD5A2 (0.65) | ESR1ESR2CYP3A4ARHPGD | |
| SCHEMBL7787065 | 0.75 | TSHR (0.46) | ESR1ESR2CYP3A4ARHPGD | |
| Hydrochloric Acid SCHEMBL25180291 | 0.73 | SRD5A2 (0.63) | ESR1ESR2CYP3A4ARHPGD | |
| Hydrochloric Acid SCHEMBL31614202 | 0.73 | SRD5A2 (0.63) | ESR1ESR2CYP3A4ARHPGD | |
| SCHEMBL19941669 | 0.73 | NR4A1 (0.42) | SRD5A2HDAC1RARBRARGNPC1 | |
| SCHEMBL11320898 | 0.73 | ALDH1A1 (0.52) | ESR1ESR2CYP3A4ALDH1A1NR3C2 | |
| SCHEMBL7631073 | 0.73 | MAPT (0.55) | ESR1ESR2CYP3A4ARHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-20080217590-A1 | PHOTOCHROMIC MATERIAL AND PROCESS FOR ITS PREPARATION | BAYER MATERIALSCIENCE AG (DE) | 2008-09-11 | — | — | US | disclosed |