Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.56 |
| ▸ | PLA2G2A | P14555 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | DHODH | Q02127 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.43 |
| ▸ | HTR3B | O95264 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | CTDSP1 | Q9GZU7 | 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 | |
|---|---|---|---|---|
| SCHEMBL30604143 | 1.00 | KDM4E (0.56) | KDM4EPLA2G2AALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL30604170 | 0.87 | PLA2G2A (0.61) | KDM4EPLA2G2AALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL30604167 | 0.87 | PLA2G2A (0.61) | KDM4EPLA2G2AALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL30604207 | 0.84 | KDM4E (0.79) | KDM4EALDH1A1HPGDSMN1; SMN2DHODH | |
| SCHEMBL30604082 | 0.84 | KDM4E (0.79) | KDM4EALDH1A1HPGDSMN1; SMN2DHODH | |
| SCHEMBL15876130 | 0.82 | KDM4E (0.49) | KDM4EPLA2G2AALDH1A1HTR3EHTR3B | |
| SCHEMBL30604271 | 0.81 | TACR3 (0.43) | KDM4EPLA2G2AALDH1A1HPGDDHODH | |
| SCHEMBL30604150 | 0.81 | TACR3 (0.43) | KDM4EPLA2G2AALDH1A1HPGDDHODH | |
| SCHEMBL29091050 | 0.81 | TACR3 (0.43) | KDM4EPLA2G2AALDH1A1HPGDDHODH | |
| SCHEMBL17395204 | 0.80 | KDM4E (0.64) | KDM4EPLA2G2AALDH1A1HPGDSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116745291-A | N- (2- (4-cyanothiazolidin-3-yl) -2-oxoethyl) -quinoline-4-carboxamide | 阿斯利康(瑞典)有限公司 | 2023-09-12 | — | — | CN | disclosed |