Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 2/20 | 0.44 |
| ▸ | ATR | Q13535 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.40 |
| ▸ | KIT | P10721 | 1/20 | 0.40 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TTK | P33981 | 1/20 | 0.39 |
| ▸ | EIF2AK3 | Q9NZJ5 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.38 |
| ▸ | ANO1 | Q5XXA6 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20649062 | 1.00 | KDR (0.44) | KDRATRCYP3A4CYP3A5KIT | |
| SCHEMBL30183284 | 0.92 | ATR (0.52) | KDRATRSMYD3TTKEIF2AK3 | |
| SCHEMBL20649178 | 0.92 | ATR (0.52) | KDRATRSMYD3TTKEIF2AK3 | |
| SCHEMBL20649043 | 0.91 | KIT (0.41) | KDRATRKITHTR2BTTK | |
| SCHEMBL30183431 | 0.91 | KIT (0.41) | KDRATRKITHTR2BTTK | |
| SCHEMBL20649010 | 0.91 | ATR (0.40) | KDRATRKITHTR2BTTK | |
| SCHEMBL30183571 | 0.91 | ATR (0.40) | KDRATRKITHTR2BTTK | |
| SCHEMBL20649357 | 0.89 | ATR (0.40) | KDRATRKITTTKEIF2AK3 | |
| SCHEMBL30183165 | 0.89 | ATR (0.40) | KDRATRKITTTKEIF2AK3 | |
| SCHEMBL20649303 | 0.89 | CA12 (0.44) | KDRATRPDGFRB |
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 | claimed |
| 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 |