Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL2699127 | 0.83 | HCAR2 (0.52) | HCAR2ESR1ESR2TDP1NPC1 | |
| SCHEMBL8768547 | 0.83 | HCAR2 (0.52) | HCAR2ESR1ESR2TDP1NPC1 | |
| SCHEMBL7231180 | 0.80 | TAAR1 (0.42) | ALDH1A1L3MBTL1GLAIDO1MAOB | |
| SCHEMBL27613521 | 0.80 | IDO1 (0.44) | ALDH1A1IDO1MAOB | |
| SCHEMBL27594736 | 0.80 | TAAR1 (0.42) | NPC1RAB9AALDH1A1SMN1; SMN2MAOB | |
| SCHEMBL11686215 | 0.79 | HCAR2 (0.49) | HCAR2ESR1ESR2TDP1NPC1 | |
| SCHEMBL111422 | 0.79 | ALDH1A1 (0.64) | HCAR2ESR1ESR2TDP1NPC1 | |
| SCHEMBL4351183 | 0.79 | ALDH1A1 (0.64) | HCAR2ESR1ESR2TDP1NPC1 | |
| SCHEMBL6679486 | 0.79 | HCAR2 (0.49) | HCAR2ESR1ESR2TDP1NPC1 | |
| Benzene SCHEMBL19304565 | 0.79 | ALDH1A1 (0.64) | HCAR2ESR1ESR2TDP1NPC1 |
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-2004043943-A1 | AROMATIC SULFONE HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS | PHARMACIA CORPORATION (US) | 2004-05-27 | — | — | WO | disclosed |