Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.69 |
| ▸ | POLB | P06746 | 3/20 | 0.69 |
| ▸ | CA2 | P00918 | 2/20 | 0.65 |
| ▸ | MEN1 | O00255 | 3/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | HTT | P42858 | 2/20 | 0.59 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.59 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.59 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.59 |
| ▸ | GLA | P06280 | 1/20 | 0.58 |
| ▸ | ATM | Q13315 | 2/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA4 | P22748 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL1599701 | 1.00 | KDM4E (0.69) | KDM4EPOLBCA2MEN1KMT2A | |
| SCHEMBL5972208 | 0.92 | KDM4E (0.75) | KDM4EPOLBCA2MEN1KMT2A | |
| SCHEMBL31606732 | 0.92 | KDM4E (0.75) | KDM4EPOLBCA2MEN1KMT2A | |
| SCHEMBL3042373 | 0.91 | LMNA (0.69) | KDM4EPOLBMEN1KMT2AALDH1A1 | |
| SCHEMBL4913843 | 0.90 | KDM4E (0.63) | KDM4EPOLBCA2MEN1KMT2A | |
| SCHEMBL18104310 | 0.89 | MEN1 (0.61) | KDM4EPOLBCA2MEN1KMT2A | |
| SCHEMBL17319601 | 0.88 | KDM4E (0.61) | KDM4EPOLBCA2MEN1KMT2A | |
| SCHEMBL12651869 | 0.88 | KDM4E (0.61) | KDM4EPOLBCA2MEN1KMT2A | |
| SCHEMBL1966851 | 0.87 | KDM4E (0.69) | KDM4EPOLBCA2MEN1KMT2A | |
| SCHEMBL9781233 | 0.85 | KDM4E (0.67) | KDM4EPOLBCA2MEN1KMT2A |
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-107624112-B | Small molecule inhibitors of lactate dehydrogenase and methods of use thereof | 美国政府健康及人类服务部 | 2022-03-04 | — | — | CN | disclosed |