Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.52 |
| ▸ | GAA | P10253 | 7/20 | 0.52 |
| ▸ | GLA | P06280 | 5/20 | 0.52 |
| ▸ | HPGD | P15428 | 4/20 | 0.52 |
| ▸ | CASP1 | P29466 | 4/20 | 0.52 |
| ▸ | CASP7 | P55210 | 4/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 5/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | G6PD | P11413 | 1/20 | 0.45 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.45 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11285229 | 0.89 | KDM4E (0.54) | ALDH1A1KDM4EGAAGLAHPGD | |
| SCHEMBL30517750 | 0.79 | KDM4E (0.50) | ALDH1A1KDM4EGAAGLAHPGD | |
| SCHEMBL27799002 | 0.76 | ALDH1A1 (0.58) | ALDH1A1KDM4EGAAGLAHPGD | |
| SCHEMBL29349627 | 0.76 | ALDH1A1 (0.58) | ALDH1A1KDM4EGAAGLAHPGD | |
| SCHEMBL33427 | 0.76 | ALDH1A1 (0.58) | ALDH1A1KDM4EGAAGLAHPGD | |
| Ammonia Solution, Strong SCHEMBL27570173 | 0.75 | ALDH1A1 (0.56) | ALDH1A1KDM4EGAAGLAHPGD | |
| SCHEMBL13264060 | 0.74 | ESR1 (0.36) | ALDH1A1KDM4EGAAGLAHPGD | |
| SCHEMBL4888228 | 0.73 | TYR (0.47) | — | |
| SCHEMBL30597484 | 0.73 | TYR (0.47) | — | |
| SCHEMBL11352201 | 0.73 | TYR (0.53) | ALDH1A1KDM4EGAAGLAHPGD |
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-2018138739-A1 | NOVEL ANTIESTROGENIC HETEROCYCLIC COMPOUNDS | SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) | 2018-08-02 | — | — | WO | disclosed |