Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.97 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.73 |
| ▸ | TSHR | P16473 | 3/20 | 0.73 |
| ▸ | LMNA | P02545 | 3/20 | 0.73 |
| ▸ | THRB | P10828 | 1/20 | 0.73 |
| ▸ | BLM | P54132 | 1/20 | 0.73 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.73 |
| ▸ | GAA | P10253 | 2/20 | 0.71 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.71 |
| ▸ | HTT | P42858 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Heptolamide SCHEMBL1814750 | 0.99 | ADORA3 (1.00) | ADORA3ALDH1A1TSHRLMNATHRB | |
| Glycyclamide SCHEMBL49386 | 0.99 | ADORA3 (1.00) | ADORA3ALDH1A1TSHRLMNATHRB | |
| Glyoctamide SCHEMBL667731 | 0.99 | ADORA3 (1.00) | ADORA3ALDH1A1TSHRLMNATHRB | |
| Tolpentamide SCHEMBL2109411 | 0.97 | ADORA3 (0.97) | ADORA3ALDH1A1TSHRLMNATHRB | |
| SCHEMBL5931113 | 0.86 | ADORA3 (0.77) | ADORA3ALDH1A1TSHRLMNATHRB | |
| Acetohexamide SCHEMBL15669221 | 0.84 | ALDH1A1 (1.00) | ADORA3ALDH1A1TSHRLMNATHRB | |
| Acetohexamide SCHEMBL37620 | 0.84 | ALDH1A1 (1.00) | ADORA3ALDH1A1TSHRLMNATHRB | |
| SCHEMBL23736042 | 0.84 | ADORA3 (0.74) | ADORA3ALDH1A1TSHRLMNATHRB | |
| SCHEMBL23007557 | 0.84 | ADORA3 (0.74) | ADORA3ALDH1A1TSHRLMNATHRB | |
| SCHEMBL24162711 | 0.84 | PPARG (0.76) | ADORA3ALDH1A1TSHRLMNATHRB |
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-2020034181-A1 | QUATERNARY TRIPHENYLPHOSPHONIUM SALT COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF | 中国农业大学 | 2020-02-20 | — | — | WO | disclosed |