Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 9/20 | 0.41 |
| ▸ | BCL6 | P41182 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | NUDT1 | P36639 | 3/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.34 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.34 |
| ▸ | HTR3B | O95264 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29833125 | 0.77 | BCL6 (0.48) | BCL6 | |
| SCHEMBL19846673 | 0.73 | ROCK1 (0.53) | ROCK1BCL6HRH4CA12CA1 | |
| SCHEMBL30725504 | 0.71 | BCL6 (0.53) | BCL6 | |
| SCHEMBL28502780 | 0.67 | EGFR (0.71) | ROCK1BCL6EGFR | |
| SCHEMBL30507290 | 0.67 | EGFR (0.71) | ROCK1BCL6EGFR | |
| SCHEMBL9391731 | 0.64 | ROCK1 (0.60) | ROCK1BCL6HRH4NUDT1HTR3E | |
| SCHEMBL4292841 | 0.64 | CA2 (0.38) | CA12CA1CA2CA5ACA7 | |
| SCHEMBL24596898 | 0.63 | ALDH1A1 (0.41) | CA12CA1CA2CA5ACA7 | |
| SCHEMBL10726349 | 0.62 | NPSR1 (0.52) | — | |
| SCHEMBL2745354 | 0.61 | — | — |
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-2022199589-A1 | PYRIMIDINE DERIVATIVES | 南京明德新药研发有限公司 | 2022-09-29 | — | — | WO | disclosed |