Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | CD44 | P16070 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 2/20 | 0.32 |
| ▸ | FLT1 | P17948 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | CA7 | P43166 | 2/20 | 0.31 |
| ▸ | CA9 | Q16790 | 2/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.31 |
| ▸ | CA3 | P07451 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL16117921 | 0.75 | ALDH1A1 (0.46) | GAACD44TSHRCYP3A4TP53 | |
| SCHEMBL2307383 | 0.75 | GAA (0.46) | GAACD44TSHRCYP3A4TP53 | |
| SCHEMBL23966569 | 0.73 | ALDH1A1 (0.40) | GAATSHRALDH1A1MAPK1 | |
| SCHEMBL22873555 | 0.73 | CSNK2A1 (0.41) | GAATSHRALDH1A1 | |
| SCHEMBL22359717 | 0.72 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL24630268 | 0.71 | CYP3A4 (0.52) | GAATSHRCYP3A4TP53ALDH1A1 | |
| SCHEMBL23199536 | 0.71 | PGK1 (0.30) | — | |
| SCHEMBL29534050 | 0.71 | GAA (0.71) | GAACD44TSHRCYP3A4TP53 | |
| SCHEMBL203217 | 0.71 | GAA (0.71) | GAACD44TSHRCYP3A4TP53 | |
| SCHEMBL22359420 | 0.70 | L3MBTL1 (0.44) | GAAALDH1A1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2763990-B1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2017-02-22 | — | — | EP | disclosed |