Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.66 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21462235 | 0.92 | CYP3A4 (0.64) | CYP3A4CYP2D6ALDH1A1PKMHSP90AA1 | |
| SCHEMBL21481679 | 0.86 | CYP3A4 (0.53) | CYP3A4CYP2D6ADORA2AADORA1ALDH1A1 | |
| SCHEMBL31337397 | 0.83 | CYP3A4 (0.46) | CYP3A4CYP2D6ADORA2AADORA1HSP90AA1 | |
| SCHEMBL21481606 | 0.83 | ADORA2A (0.52) | CYP3A4CYP2D6ADORA2AADORA1ALDH1A1 | |
| SCHEMBL31385338 | 0.83 | ADORA2A (0.52) | CYP3A4CYP2D6ADORA2AADORA1ALDH1A1 | |
| SCHEMBL21482042 | 0.80 | ADORA2A (0.44) | CYP3A4CYP2D6ADORA2AADORA1HSP90AA1 | |
| SCHEMBL20210108 | 0.79 | CYP3A4 (1.00) | CYP3A4CYP2D6 | |
| SCHEMBL21462208 | 0.79 | CYP3A4 (0.72) | CYP3A4CYP2D6PRMT6ALDH1A1PKM | |
| SCHEMBL20209845 | 0.79 | CYP3A4 (1.00) | CYP3A4CYP2D6 | |
| SCHEMBL21462222 | 0.79 | PRMT6 (0.45) | CYP3A4CYP2D6PRMT6ALDH1A1SIGMAR1 |
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-115368365-A | Method for preparing pyrazolo heteroaryl compound by using microchannel reactor | 江苏恒瑞医药股份有限公司 | 2022-11-22 | — | — | CN | disclosed |
| WO-2019196918-A1 | FIVE-MEMBERED HETEROCYCLO-PYRIMIDINE COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF | 罗欣药业(上海)有限公司 | 2019-10-17 | — | — | WO | disclosed |