Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5A | P29375 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.30 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL28839856 | 0.90 | KDM5A (0.44) | KDM5AALDH1A1SYKHDAC1HDAC2 | |
| SCHEMBL7745183 | 0.88 | KDM5A (0.59) | KDM5AALDH1A1SYKPABPC1ADRB2 | |
| SCHEMBL5457643 | 0.73 | EGFR (0.47) | KDM5AALDH1A1KDM4E | |
| SCHEMBL8574587 | 0.72 | KDM5A (0.46) | KDM5AALDH1A1SYKGAACXCR1 | |
| SCHEMBL3562018 | 0.71 | KDM5A (0.61) | KDM5AALDH1A1SYKPABPC1KDM4E | |
| SCHEMBL10566482 | 0.70 | KDM5A (0.44) | KDM5AALDH1A1SYK | |
| SCHEMBL7745818 | 0.68 | ALOX15 (0.45) | KDM5AALDH1A1HDAC1HDAC2KDM4E | |
| SCHEMBL28009999 | 0.68 | ALDH1A1 (0.49) | ALDH1A1LMNAGAA | |
| SCHEMBL12635347 | 0.68 | ALDH1A1 (0.40) | KDM5AALDH1A1KDM4ELMNAGAA | |
| SCHEMBL6838321 | 0.68 | KDM5A (0.58) | KDM5AALDH1A1KDM4ELMNAGAA |
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-106496253-A | A kind of multi-functional zinc/cadmium complex of thiophene phenyl organic ligand and its application | 渤海大学 | 2017-03-15 | — | — | CN | claimed |