Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 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 | |
|---|---|---|---|---|
| SCHEMBL16708762 | 0.72 | USP2 (0.42) | USP2ALDH1A1HSD17B10TSHRPKM | |
| SCHEMBL13335317 | 0.63 | MAPK1 (0.39) | USP2ALDH1A1HSD17B10TSHRPKM | |
| SCHEMBL11172546 | 0.62 | RAB9A (0.56) | USP2ALDH1A1TSHRHTTSMN1; SMN2 | |
| SCHEMBL5513954 | 0.62 | MMP13 (0.39) | USP2ALDH1A1HSD17B10TSHRPKM | |
| SCHEMBL24434862 | 0.61 | MAPT (0.39) | ALDH1A1HSD17B10HTTSMN1; SMN2MAPT | |
| SCHEMBL1024496 | 0.59 | — | — | |
| SCHEMBL19071528 | 0.59 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL9347698 | 0.59 | RAB9A (0.50) | USP2ALDH1A1HSD17B10TSHRPKM | |
| Formic Acid SCHEMBL28801376 | 0.58 | RAB9A (0.52) | ALDH1A1HSD17B10TSHRSMN1; SMN2NPSR1 | |
| SCHEMBL4634848 | 0.58 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2MAPTCYP2C9LMNA |
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 |