Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 7/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | ALPI | P09923 | 2/20 | 0.42 |
| ▸ | ALPL | P05186 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30507393 | 1.00 | HPGD (0.45) | HPGDKDM4EALDH1A1GAACA12 | |
| SCHEMBL30507513 | 0.78 | CA12 (0.53) | HPGDKDM4EALDH1A1GAACA12 | |
| SCHEMBL30507514 | 0.78 | CA12 (0.53) | HPGDKDM4EALDH1A1GAACA12 | |
| SCHEMBL28510447 | 0.78 | CA12 (0.53) | HPGDKDM4EALDH1A1GAACA12 | |
| SCHEMBL26781086 | 0.73 | MAPT (0.63) | HPGDKDM4EALDH1A1CA12CA1 | |
| SCHEMBL29853363 | 0.73 | MAPT (0.63) | HPGDKDM4EALDH1A1CA12CA1 | |
| SCHEMBL4803151 | 0.72 | NPC1 (0.50) | HPGDKDM4EALDH1A1GAACA12 | |
| SCHEMBL26783069 | 0.72 | CA12 (0.52) | HPGDKDM4EALDH1A1CA12CA1 | |
| SCHEMBL30043665 | 0.71 | CA1 (0.61) | HPGDKDM4EALDH1A1CA12CA1 | |
| SCHEMBL840971 | 0.71 | CA1 (0.61) | HPGDKDM4EALDH1A1CA12CA1 |
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-112010844-B | Preparation method and application of N- (pyrimidine-2-yl) coumarin-7-amine derivative as protein kinase inhibitor | 中国药科大学 | 2023-07-25 | — | — | CN | disclosed |
| CN-112010844-A | Preparation method and application of N- (pyrimidine-2-yl) coumarin-7-amine derivative as protein kinase inhibitor | 中国药科大学 | 2020-12-01 | — | — | CN | disclosed |