Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL4717441 | 1.00 | CA1 (0.35) | CA1CA2ALDH1A1POLBTSHR | |
| SCHEMBL2254566 | 1.00 | CA1 (0.35) | CA1CA2ALDH1A1POLBTSHR | |
| SCHEMBL2251329 | 1.00 | CA1 (0.35) | CA1CA2ALDH1A1POLBTSHR | |
| SCHEMBL5807350 | 0.82 | CYP1A2 (0.35) | ALDH1A1POLBKMT2AHSD17B10 | |
| SCHEMBL3590475 | 0.82 | CA2 (0.46) | CA1CA2ALDH1A1TP53SMN1; SMN2 | |
| SCHEMBL2638 | 0.72 | — | — | |
| SCHEMBL518261 | 0.72 | HSD17B10 (0.52) | CA1CA2ALDH1A1POLBTSHR | |
| SCHEMBL463775 | 0.72 | HSD17B10 (0.52) | CA1CA2ALDH1A1POLBTSHR | |
| SCHEMBL20055722 | 0.72 | HSD17B10 (0.52) | CA1CA2ALDH1A1POLBTSHR | |
| SCHEMBL1521924 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110997678-B | Pyrazoloquinazoline derivatives as choline kinase inhibitors | 内尔维亚诺医疗科学公司 | 2023-02-21 | — | — | CN | disclosed |
| CN-110997678-A | Pyrazoloquinazoline derivatives as choline kinase inhibitors | 内尔维亚诺医疗科学公司 | 2020-04-10 | — | — | CN | disclosed |