Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.42 |
| ▸ | HTR3B | O95264 | 3/20 | 0.42 |
| ▸ | HTR3A | P46098 | 3/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.42 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.42 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | DHODH | Q02127 | 2/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30604150 | 1.00 | TACR3 (0.43) | TACR3KDM4EHTR3EHTR3BHTR3A | |
| SCHEMBL29091050 | 1.00 | TACR3 (0.43) | TACR3KDM4EHTR3EHTR3BHTR3A | |
| SCHEMBL30604076 | 0.96 | KDM4E (0.44) | TACR3KDM4EHTR3EHTR3BHTR3A | |
| SCHEMBL30604090 | 0.94 | TACR3 (0.43) | TACR3KDM4EHTR3EHTR3BHTR3A | |
| SCHEMBL30604070 | 0.91 | KDM4E (0.46) | TACR3KDM4EPLA2G2AALDH1A1LMNA | |
| SCHEMBL30604128 | 0.91 | PLA2G2A (0.44) | TACR3KDM4EHTR3EHTR3BHTR3A | |
| SCHEMBL30604220 | 0.88 | PLA2G2A (0.53) | TACR3KDM4EHTR3EHTR3BHTR3A | |
| SCHEMBL30604065 | 0.88 | PLA2G2A (0.53) | TACR3KDM4EHTR3EHTR3BHTR3A | |
| SCHEMBL30604186 | 0.88 | PLA2G2A (0.53) | TACR3KDM4EHTR3EHTR3BHTR3A | |
| SCHEMBL30604147 | 0.87 | PLA2G2A (0.43) | TACR3KDM4EHTR3EHTR3BHTR3A |
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 |