Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27358536 | 0.72 | ALDH1A1 (0.43) | ALDH1A1CYP3A4THRBHPGDALOX15 | |
| SCHEMBL19489529 | 0.71 | TSHR (0.34) | ALDH1A1CYP3A4THRBHPGDALOX15 | |
| SCHEMBL24447277 | 0.69 | ALDH1A1 (0.30) | ALDH1A1CYP3A4TSHRCASP1 | |
| SCHEMBL5111434 | 0.68 | ALDH1A1 (0.48) | ALDH1A1CYP3A4TSHRRECQL | |
| SCHEMBL19489638 | 0.68 | TSHR (0.32) | ALDH1A1CYP3A4THRBHPGDALOX15 | |
| SCHEMBL24305375 | 0.68 | TSHR (0.32) | ALDH1A1CYP3A4THRBHPGDALOX15 | |
| SCHEMBL24934263 | 0.68 | ALDH1A1 (0.38) | ALDH1A1CYP3A4THRBHPGDALOX15 | |
| SCHEMBL2421537 | 0.68 | CYP3A4 (0.40) | ALDH1A1CYP3A4TSHRRECQL | |
| SCHEMBL2037027 | 0.68 | ALDH1A1 (0.34) | ALDH1A1CYP3A4THRBHPGDALOX15 | |
| SCHEMBL17739108 | 0.66 | GABRA1 (0.37) | CYP3A4 |
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-2021032148-A1 | AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF | BEIGENE, LTD. (KY) | 2021-02-25 | — | — | WO | disclosed |