Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PGK1 | P00558 | 1/20 | 0.31 |
| ▸ | PGK2 | P07205 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28941451 | 1.00 | ALDH1A1 (0.38) | ALDH1A1CYP3A4TSHRMAPK1CYP1A2 | |
| SCHEMBL20053905 | 0.91 | ALDH1A1 (0.43) | ALDH1A1CYP1A2ALOX15CASP7HIF1A | |
| SCHEMBL978569 | 0.82 | PGK1 (0.42) | ALDH1A1CYP3A4TSHRMAPK1CYP1A2 | |
| SCHEMBL14957365 | 0.79 | ALDH1A1 (0.44) | ALDH1A1CYP3A4TSHRMAPK1CYP1A2 | |
| SCHEMBL3669420 | 0.79 | ALDH1A1 (0.48) | ALDH1A1CYP3A4TSHRMAPK1CYP1A2 | |
| SCHEMBL5014656 | 0.78 | NOS3 (0.39) | ALDH1A1TSHRMAPK1PGK1PGK2 | |
| SCHEMBL20141110 | 0.78 | POLB (0.35) | ALDH1A1CYP3A4TSHRMAPK1CYP1A2 | |
| SCHEMBL8147835 | 0.77 | ALDH1A1 (0.35) | ALDH1A1CYP1A2ALOX15CASP7HIF1A | |
| Hydrochloric Acid SCHEMBL4115150 | 0.76 | ALDH1A1 (0.46) | ALDH1A1CYP1A2ALOX15CASP7HIF1A | |
| SCHEMBL14924927 | 0.76 | SHBG (0.42) | ALDH1A1PGK1PGK2POLBL3MBTL1 |
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-110678466-B | Diazanaphthalenes as HPK1 inhibitors | 豪夫迈·罗氏有限公司 | 2023-01-31 | — | — | CN | disclosed |