Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 15/20 | 0.71 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.59 |
| ▸ | AR | P10275 | 3/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4240819 | 0.84 | ESR1 (0.50) | ESR1ESR2ARTDP1ALDH1A1 | |
| SCHEMBL31621104 | 0.83 | ESR1 (0.74) | ESR1ESR2ARTDP1TP53 | |
| SCHEMBL29471727 | 0.83 | ESR1 (0.80) | ESR1ESR2ARTDP1TP53 | |
| SCHEMBL35285 | 0.83 | ESR1 (1.00) | ESR1ESR2ARTDP1TP53 | |
| SCHEMBL29465776 | 0.83 | ESR1 (0.80) | ESR1ESR2ARTDP1TP53 | |
| SCHEMBL29360146 | 0.83 | ESR1 (1.00) | ESR1ESR2ARTDP1TP53 | |
| SCHEMBL29350788 | 0.83 | ESR1 (1.00) | ESR1ESR2ARTDP1TP53 | |
| SCHEMBL171132 | 0.83 | ESR1 (0.74) | ESR1ESR2ARTDP1TP53 | |
| SCHEMBL217305 | 0.83 | ESR1 (0.80) | ESR1ESR2ARTDP1TP53 | |
| SCHEMBL29696084 | 0.81 | ESR1 (0.95) | ESR1ESR2ARTDP1TP53 |
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-4045499-A | ACID CATALYSTS | BAYER AKTIENGESELLSCHAFT (DT) | 1977-08-30 | — | — | US | disclosed |