Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19410798 | 0.84 | KDM4E (0.58) | POLBKDM4EKMT2AMEN1 | |
| SCHEMBL19428062 | 0.84 | KMT2A (0.42) | CYP2C9ACHEPOLBKDM4EKMT2A | |
| SCHEMBL23443581 | 0.76 | KDM4E (0.65) | KDM4EKMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL995119 | 0.71 | POLB (0.66) | EPHX1POLBKMT2AMEN1ALDH1A1 | |
| SCHEMBL28251401 | 0.69 | — | — | |
| SCHEMBL18988414 | 0.68 | CYP2C9 (0.41) | CYP2C9EPHX1ACHEPOLBKDM4E | |
| SCHEMBL16322087 | 0.68 | DRD4 (0.69) | EPHX1POLBKMT2AMEN1NPC1 | |
| SCHEMBL400890 | 0.67 | RAB9A (0.77) | CYP2C9POLBKDM4EKMT2AMEN1 | |
| SCHEMBL994466 | 0.66 | CTSL (0.63) | EPHX1POLBKMT2AMEN1 | |
| SCHEMBL2556107 | 0.66 | CPB1 (0.67) | KMT2AMEN1ALDH1A1 |
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-108779093-A | N1- (tri- fluoro- 2- hydroxy-2-methyls propionos of 3,3,3-)-piperidine derivative of inhibitor as pyruvic dehydrogenase kinase | 默克专利股份公司 | 2018-11-09 | — | — | CN | disclosed |