Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9749305 | 1.00 | ALDH1A1 (0.32) | ALDH1A1HSD17B10L3MBTL1GAAHPGD | |
| SCHEMBL9750327 | 0.85 | CTBP2 (0.33) | ALDH1A1L3MBTL1GAAHPGD | |
| SCHEMBL9750324 | 0.85 | CTBP2 (0.33) | ALDH1A1L3MBTL1GAAHPGD | |
| SCHEMBL10878537 | 0.73 | ALDH1A1 (0.40) | ALDH1A1HSD17B10L3MBTL1GAAHPGD | |
| SCHEMBL10687076 | 0.73 | ALDH1A1 (0.40) | ALDH1A1HSD17B10L3MBTL1GAAHPGD | |
| SCHEMBL9748936 | 0.69 | APEX1 (0.51) | ALDH1A1HSD17B10GAAHPGDMAPK1 | |
| SCHEMBL9749292 | 0.67 | TSHR (0.39) | ALDH1A1HSD17B10L3MBTL1 | |
| SCHEMBL9749643 | 0.66 | APEX1 (0.40) | ALDH1A1HSD17B10GAAHPGDMAPK1 | |
| SCHEMBL9748851 | 0.63 | HPGD (0.55) | ALDH1A1HPGDFFAR1 | |
| SCHEMBL1318083 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0194572-B1 | HETEROCYCLIC SULFIDES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-01-02 | — | — | EP | disclosed |