Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 2/20 | 0.33 |
| ▸ | CD44 | P16070 | 1/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22572996 | 1.00 | TSHR (0.44) | TSHRCYP3A4TP53ALDH1A1GAA | |
| SCHEMBL28777112 | 0.86 | CYP3A4 (0.46) | TSHRCYP3A4TP53ALDH1A1GAA | |
| SCHEMBL3682577 | 0.80 | ALDH1A1 (0.53) | TSHRCYP3A4TP53ALDH1A1ALOX15 | |
| SCHEMBL4929798 | 0.79 | GAA (0.41) | TSHRCYP3A4TP53ALDH1A1GAA | |
| SCHEMBL1466981 | 0.79 | CYP3A4 (0.40) | TSHRCYP3A4TP53ALDH1A1GAA | |
| SCHEMBL8526012 | 0.76 | GAA (0.50) | TSHRCYP3A4TP53ALDH1A1GAA | |
| SCHEMBL24132213 | 0.75 | CYP3A4 (0.48) | TSHRCYP3A4TP53ALDH1A1GAA | |
| SCHEMBL21225128 | 0.75 | GAA (0.38) | TSHRCYP3A4TP53ALDH1A1GAA | |
| SCHEMBL22832065 | 0.75 | HSD17B10 (0.48) | TSHRCYP3A4TP53ALDH1A1GAA | |
| SCHEMBL1494602 | 0.75 | CYP3A4 (0.37) | TSHRCYP3A4TP53ALDH1A1GAA |
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-119013259-A | Isoquinoline derivatives as inhibitors of BAX and/or BAK, compositions and uses thereof | 森尼布鲁克研究院 | 2024-11-22 | — | — | CN | disclosed |