Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HPD | P32754 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL11488686 | 0.83 | CYP3A4 (0.35) | ALDH1A1MAPTSMN1; SMN2CYP3A4KDM4E | |
| SCHEMBL21886582 | 0.78 | ALDH1A1 (0.41) | ALDH1A1PLA2G7MAPTPOLBTSHR | |
| SCHEMBL219172 | 0.76 | ALDH1A1 (0.44) | ALDH1A1PLA2G7MAPTPOLBTSHR | |
| SCHEMBL5411006 | 0.76 | ALDH1A1 (0.56) | ALDH1A1PLA2G7MAPTPOLBTSHR | |
| SCHEMBL1653731 | 0.72 | ALDH1A1 (0.65) | ALDH1A1PLA2G7MAPTPOLBTSHR | |
| SCHEMBL25061759 | 0.69 | ADORA2B (0.38) | ALDH1A1PLA2G7MAPTPOLBTSHR | |
| SCHEMBL221044 | 0.68 | ALDH1A1 (0.58) | ALDH1A1POLBTSHRNPSR1L3MBTL1 | |
| SCHEMBL24759399 | 0.68 | ADORA2B (0.37) | ALDH1A1PLA2G7MAPTPOLBTSHR | |
| SCHEMBL21787983 | 0.68 | ADORA2B (0.41) | ALDH1A1MAPTPOLBHSD17B10ADORA2B | |
| SCHEMBL12157011 | 0.68 | ADORA2B (0.41) | ALDH1A1PLA2G7MAPTPOLBTSHR |
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 |