Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 3/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | APAF1 | O14727 | 1/20 | 0.33 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.31 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15061673 | 0.78 | SMN1; SMN2 (0.33) | ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL15624103 | 0.74 | ALDH1A1 (0.32) | ADORA2BADORA2AADORA3ADORA1ALDH1A1 | |
| SCHEMBL8404518 | 0.73 | ADORA2B (0.41) | ADORA2BADORA2AADORA3ADORA1MEN1 | |
| SCHEMBL25979886 | 0.70 | MEN1 (0.42) | ADORA2BADORA2AADORA3ADORA1MEN1 | |
| SCHEMBL20485672 | 0.70 | CSNK2A2 (0.45) | ADORA2BADORA2AADORA3ADORA1MEN1 | |
| SCHEMBL2493416 | 0.69 | SMN1; SMN2 (0.50) | SMN1; SMN2NPC1 | |
| SCHEMBL11839478 | 0.68 | ADORA2B (0.34) | ADORA2BADORA2AADORA3ADORA1MEN1 | |
| SCHEMBL16480072 | 0.67 | — | — | |
| SCHEMBL9215563 | 0.67 | KDM4E (0.41) | ADORA2BADORA2AADORA3ADORA1MEN1 | |
| SCHEMBL13435345 | 0.67 | ADORA2B (0.38) | ADORA2BADORA2AADORA3ADORA1MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109422749-B | Pyrimidinedione derivative for inhibiting monocarboxylic acid transporter | 重庆医药工业研究院有限责任公司 | 2023-01-24 | — | — | CN | disclosed |
| CN-109422749-A | A kind of pyrimidinedione derivative inhibiting monocarboxylate transporter | 重庆医药工业研究院有限责任公司 | 2019-03-05 | — | — | CN | disclosed |