Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | IDO1 | P14902 | 4/20 | 0.52 |
| ▸ | AURKA | O14965 | 2/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.46 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.37 |
| ▸ | BTK | Q06187 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL86365 | 1.00 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1IDO1AURKAAURKB | |
| SCHEMBL21436436 | 0.88 | IDO1 (0.44) | ALDH1A1L3MBTL1IDO1AURKAAURKB | |
| SCHEMBL15416821 | 0.83 | KDR (0.47) | AURKAAURKBINCENPKDRADORA2A | |
| SCHEMBL29745139 | 0.83 | AURKA (0.43) | ALDH1A1L3MBTL1IDO1AURKAAURKB | |
| Hydrochloric Acid SCHEMBL15659571 | 0.82 | IDO1 (0.42) | ALDH1A1L3MBTL1IDO1AURKAAURKB | |
| SCHEMBL6865280 | 0.77 | AURKA (0.38) | ALDH1A1IDO1AURKAAURKBINCENP | |
| SCHEMBL7800798 | 0.77 | PDPK1 (0.39) | ALDH1A1L3MBTL1IDO1AURKAAURKB | |
| SCHEMBL20370293 | 0.76 | AURKA (0.39) | AURKAAURKBINCENPKDRADORA2A | |
| Hydrochloric Acid SCHEMBL8099675 | 0.75 | PDPK1 (0.38) | ALDH1A1IDO1AURKAAURKBINCENP | |
| SCHEMBL29079111 | 0.74 | KDR (0.42) | AURKAAURKBKDRADORA2AADRA1D |
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 |
|---|---|---|---|---|---|---|---|
| CN-117800891-A | Preparation method of 3- (2-aminophenyl) pyrrole derivative | 深圳职业技术学院 | 2024-04-02 | — | — | CN | claimed |