Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 13/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.56 |
| ▸ | HPGD | P15428 | 5/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CELA1 | Q9UNI1 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18496528 | 0.82 | KDM4E (0.61) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL18496523 | 0.75 | KDM4E (0.70) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL4338832 | 0.73 | KDM4E (0.61) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL4573629 | 0.72 | KDM4E (1.00) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL7558755 | 0.70 | ABL1 (0.50) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL1885241 | 0.70 | KDM4E (1.00) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL17179762 | 0.69 | KDM4E (0.65) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL22006944 | 0.69 | KDM4E (0.79) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL23648008 | 0.68 | ABL1 (0.51) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL29771218 | 0.68 | ABL1 (0.51) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023116390-A1 | PYRIMIDINE-2(1H)-ONE-FUSED BICYCLIC COMPOUND HAVING MAT2A INHIBITORY ACTIVITY AND USE THEREOF | 上海海和药物研究开发股份有限公司 | 2023-06-29 | — | — | WO | disclosed |