Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | BCR | P11274 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21481605 | 0.79 | TLR7 (0.53) | CYP3A4CYP2D6KDM4EADORA2AADORA1 | |
| SCHEMBL21481670 | 0.78 | KDM4E (0.46) | CYP3A4CYP2D6KDM4ENR3C1ABL1 | |
| SCHEMBL21462256 | 0.78 | CYP3A4 (0.50) | CYP3A4CYP2D6KDM4EABL1BCR | |
| SCHEMBL21481609 | 0.76 | CYP3A4 (0.64) | CYP3A4CYP2D6TLR7 | |
| SCHEMBL21482074 | 0.76 | CYP3A4 (0.64) | CYP3A4CYP2D6TLR7 | |
| SCHEMBL21482073 | 0.76 | CYP3A4 (0.64) | CYP3A4CYP2D6TLR7 | |
| SCHEMBL21482029 | 0.75 | CYP3A4 (0.70) | CYP3A4CYP2D6CASP1TLR7 | |
| SCHEMBL21482036 | 0.73 | CYP3A4 (0.71) | CYP3A4CYP2D6TLR7 | |
| SCHEMBL21465871 | 0.73 | CYP3A4 (0.71) | CYP3A4CYP2D6TLR7 | |
| SCHEMBL21465870 | 0.73 | CYP3A4 (0.71) | CYP3A4CYP2D6TLR7 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |