Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5776915 | 0.85 | RAD52 (0.43) | ALDH1A1RAD52NPC1RAB9ATP53 | |
| SCHEMBL4812395 | 0.83 | ESR1 (0.54) | ALDH1A1ESR1ESR2NPC1RAB9A | |
| SCHEMBL3993381 | 0.77 | LMNA (0.61) | ALDH1A1NPC1RAB9AL3MBTL1HPGD | |
| Benzene SCHEMBL19304565 | 0.76 | ALDH1A1 (0.64) | ALDH1A1RAD52HCAR2ESR1ESR2 | |
| SCHEMBL111422 | 0.76 | ALDH1A1 (0.64) | ALDH1A1RAD52HCAR2ESR1ESR2 | |
| SCHEMBL4351183 | 0.76 | ALDH1A1 (0.64) | ALDH1A1RAD52HCAR2ESR1ESR2 | |
| SCHEMBL22400 | 0.75 | ALDH1A1 (0.53) | ALDH1A1L3MBTL1CYP3A4TSHRSMN1; SMN2 | |
| SCHEMBL6425240 | 0.75 | TDP1 (0.48) | ALDH1A1TDP1TSHRALOX5 | |
| Acetic Acid SCHEMBL19951529 | 0.74 | ALDH1A1 (0.62) | ALDH1A1RAD52HCAR2ESR1ESR2 | |
| SCHEMBL28201295 | 0.74 | ALDH1A1 (0.62) | ALDH1A1RAD52HCAR2ESR1ESR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1367060-B1 | GLUCOPYRANOSYLOXYBENZYLBENZENE DERIVATIVES AND MEDICINAL USE THEREOF | KISSEI PHARMACEUTICAL (JP) | 2005-12-28 | — | — | EP | claimed |
| CN-114450011-A | Compositions and methods for treating metabolic disorders | 阿沃林特有限公司 | 2022-05-06 | — | — | CN | disclosed |