Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL5212092 | 0.84 | KDM4E (0.53) | ARALDH1A1MAPTHPGDHTT | |
| SCHEMBL10848119 | 0.82 | AR (0.49) | ARALDH1A1MAPTHPGDHTT | |
| Hydrochloric Acid SCHEMBL19462138 | 0.82 | KDM4E (0.52) | ARALDH1A1MAPTHPGDHTT | |
| SCHEMBL10854280 | 0.79 | AR (0.51) | ARALDH1A1MAPTHPGDHTT | |
| SCHEMBL2759472 | 0.79 | AR (0.49) | ARALDH1A1MAPTSMN1; SMN2GAA | |
| SCHEMBL11663137 | 0.78 | AR (0.50) | ARALDH1A1MAPTHPGDHTT | |
| SCHEMBL11661599 | 0.78 | ALDH1A1 (0.50) | ARALDH1A1MAPTHPGDHTT | |
| SCHEMBL8471824 | 0.77 | NPC1 (0.55) | ARALDH1A1MAPTHPGDHTT | |
| SCHEMBL1302701 | 0.77 | HTT (0.47) | ARALDH1A1MAPTHPGDHTT | |
| SCHEMBL5114151 | 0.76 | CA2 (0.52) | ALDH1A1MAPTL3MBTL1CA2LMNA |
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-2022002077-A1 | ARYL AROMATIC HETEROCYCLIC DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海海和药物研究开发股份有限公司 | 2022-01-06 | — | — | WO | disclosed |