Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 13/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.47 |
| ▸ | AR | P10275 | 4/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13093046 | 0.90 | ESR1 (0.44) | ESR1ESR2ARTP53TDP1 | |
| SCHEMBL6260738 | 0.86 | ESR1 (0.48) | ESR1ESR2ARTP53TDP1 | |
| SCHEMBL339860 | 0.83 | NR1I2 (0.43) | ESR1ESR2ARNR1I2LMNA | |
| SCHEMBL5301206 | 0.83 | ESR1 (0.50) | ESR1ESR2ARLMNATP53 | |
| SCHEMBL27843119 | 0.83 | ESR1 (0.50) | ESR1ESR2ARLMNATP53 | |
| SCHEMBL5710154 | 0.81 | ESR1 (0.45) | ESR1ESR2ARLMNATP53 | |
| SCHEMBL15065473 | 0.80 | NR1I2 (0.48) | ESR1ESR2NR1I2TDP1USP2 | |
| SCHEMBL28115551 | 0.80 | NR1I2 (0.38) | ESR1ESR2NR1I2LMNATDP1 | |
| SCHEMBL28055331 | 0.79 | ESR1 (0.38) | ESR1ESR2ARLMNAALDH1A1 | |
| SCHEMBL31620718 | 0.78 | ESR1 (0.49) | ESR1ESR2ARTP53TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108191733-A | A kind of penta alkyl compound of benzene-pyrroles, preparation method and anti-hepatic fibrosis purposes | 中国药科大学 | 2018-06-22 | — | — | CN | disclosed |