Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.62 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
| ▸ | DHODH | Q02127 | 4/20 | 0.49 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30604177 | 0.92 | KDM4E (0.59) | KDM4ELMNATP53RXFP1DHODH | |
| SCHEMBL30604178 | 0.91 | KDM4E (0.58) | KDM4ELMNATP53RXFP1DHODH | |
| SCHEMBL29091020 | 0.90 | KDM4E (0.56) | KDM4ELMNATP53RXFP1DHODH | |
| SCHEMBL30604094 | 0.90 | KDM4E (0.56) | KDM4ELMNATP53RXFP1DHODH | |
| SCHEMBL30604151 | 0.90 | KDM4E (0.56) | KDM4ELMNATP53RXFP1DHODH | |
| SCHEMBL30604070 | 0.85 | KDM4E (0.46) | KDM4ELMNATP53RXFP1PDE10A | |
| SCHEMBL30604087 | 0.85 | NCOA1 (0.52) | KDM4ELMNATP53RXFP1DHODH | |
| SCHEMBL30604071 | 0.83 | KDM4E (0.49) | KDM4ELMNATP53RXFP1DHODH | |
| SCHEMBL30604079 | 0.81 | KDM4E (0.56) | KDM4ELMNATP53RXFP1DHODH | |
| SCHEMBL29091034 | 0.80 | KDM4E (0.54) | KDM4ELMNATP53RXFP1DHODH |
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 |