Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.46 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.46 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 3/20 | 0.37 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8284040 | 0.90 | MAPT (0.49) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL17969062 | 0.84 | NPC1 (0.47) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL8919270 | 0.84 | NPC1 (0.47) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL11266794 | 0.83 | NPC1 (0.46) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL10788798 | 0.82 | NPC1 (0.42) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL10646325 | 0.80 | PARP1 (0.43) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL20702475 | 0.78 | NPC1 (0.41) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL2215753 | 0.77 | SRD5A1 (0.37) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL29410901 | 0.77 | NPC1 (0.50) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL2230502 | 0.77 | NPC1 (0.50) | NPC1MAPK13MAPK12MAPK11MAPK14 |
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-113429410-B | Polyheterocyclic substituted pyrimidine or pyridylamine derivatives, compositions and medical uses thereof | 上海海雁医药科技有限公司 | 2022-10-04 | — | — | CN | disclosed |
| CN-113429410-A | Polyheterocyclic substituted pyrimidine or pyridylamine derivatives, compositions and medical uses thereof | 上海海雁医药科技有限公司 | 2021-09-24 | — | — | CN | disclosed |