Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | POLB | P06746 | 3/20 | 0.45 |
| ▸ | DHCR7 | Q9UBM7 | 3/20 | 0.41 |
| ▸ | EBP | Q15125 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1742205 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL28322758 | 0.84 | ALDH1A1 (0.36) | POLBMEN1KMT2AALDH1A1 | |
| SCHEMBL38657816 | 0.80 | ACHE (0.34) | KDM4EPOLBMEN1KMT2AALDH1A1 | |
| SCHEMBL28452884 | 0.80 | L3MBTL3 (0.41) | KDM4EMEN1KMT2ACYP2D6 | |
| SCHEMBL1306349 | 0.80 | MEN1 (0.44) | KDM4EMEN1KMT2ACYP2D6 | |
| SCHEMBL1306670 | 0.79 | L3MBTL1 (0.38) | KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL13556907 | 0.78 | ACHE (0.38) | POLBMEN1KMT2AALDH1A1 | |
| SCHEMBL1711612 | 0.78 | MEN1 (0.43) | KDM4EMEN1KMT2ACYP2D6 | |
| SCHEMBL31482116 | 0.77 | MEN1 (0.41) | MEN1KMT2AALDH1A1 | |
| SCHEMBL18411956 | 0.77 | KDM4E (0.48) | KDM4EPOLBDHCR7EBPMEN1 |
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 3 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 |
| WO-2019011715-A1 | PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2019-01-17 | — | — | WO | disclosed |