Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.36 |
| ▸ | CA2 | P00918 | 5/20 | 0.36 |
| ▸ | CA7 | P43166 | 5/20 | 0.36 |
| ▸ | CA13 | Q8N1Q1 | 4/20 | 0.36 |
| ▸ | JAK2 | O60674 | 2/20 | 0.32 |
| ▸ | JAK1 | P23458 | 2/20 | 0.32 |
| ▸ | TYK2 | P29597 | 2/20 | 0.32 |
| ▸ | JAK3 | P52333 | 2/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HSP90AB1 | P08238 | 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 | |
|---|---|---|---|---|
| SCHEMBL24701511 | 0.86 | HSP90AA1 (0.37) | JAK2JAK1TYK2JAK3HSP90AA1 | |
| SCHEMBL15904291 | 0.77 | PDE10A (0.42) | ABCB1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL15904104 | 0.76 | PDE10A (0.43) | CA1CA2CA7CA13HSP90AA1 | |
| SCHEMBL24701416 | 0.73 | JAK2 (0.31) | JAK2JAK1TYK2JAK3 | |
| SCHEMBL21274191 | 0.72 | CA1 (0.39) | CA1CA2CA7CA13HSP90AA1 | |
| SCHEMBL21282880 | 0.71 | CA1 (0.46) | CA1CA2CA7CA13CYP1A2 | |
| SCHEMBL1902227 | 0.70 | CA1 (0.41) | CA1CA2CA7CA13CYP1A2 | |
| SCHEMBL11859674 | 0.70 | TDP1 (0.46) | CYP1A2CYP2C19 | |
| SCHEMBL12854738 | 0.69 | KDM4E (0.37) | — | |
| SCHEMBL11582545 | 0.68 | LMNA (0.38) | CA1CA2CA7CA13CYP1A2 |
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-3752506-B1 | PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTIONS | UNIV LIEGE (BE) | 2022-12-14 | — | — | EP | disclosed |