Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.44 |
| ▸ | MEN1 | O00255 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL23918746 | 0.86 | ALDH1A1 (0.55) | CASP3ALDH1A1TSHRMAPK1GABRA1 | |
| SCHEMBL23918548 | 0.71 | KMT2A (0.56) | CASP3ALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL24379688 | 0.71 | ALDH1A1 (0.53) | CASP3ALDH1A1GABRA1GABRA5KMT2A | |
| SCHEMBL4755307 | 0.71 | CASP3 (0.70) | CASP3ALDH1A1TSHRMAPK1KMT2A | |
| SCHEMBL1839329 | 0.70 | CASP3 (0.69) | CASP3ALDH1A1TSHRMAPK1KMT2A | |
| SCHEMBL27760325 | 0.68 | CASP3 (1.00) | CASP3ALDH1A1MAPK1KMT2AMEN1 | |
| SCHEMBL241693 | 0.67 | SCD (0.67) | ALDH1A1TP53KDM4E | |
| SCHEMBL19893670 | 0.67 | CHRM5 (0.51) | ALDH1A1KMT2AMEN1MAPTGAA | |
| SCHEMBL17474620 | 0.67 | CHRM5 (0.62) | — | |
| SCHEMBL17902654 | 0.66 | CASP3 (0.60) | CASP3ALDH1A1TSHRMAPK1KMT2A |
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-3700907-B1 | NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS | BAYER AG (DE) | 2022-03-09 | — | — | EP | disclosed |