Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.46 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | BMP1 | P13497 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL22436191 | 0.90 | CNR1 (0.57) | TAS2R14L3MBTL1CACNA1BCACNA1CCNR1 | |
| SCHEMBL28647737 | 0.83 | MAPT (0.44) | TAS2R14L3MBTL1CACNA1BCACNA1CCNR1 | |
| SCHEMBL24200770 | 0.80 | MAPT (0.42) | TAS2R14L3MBTL1CACNA1BCACNA1CCNR1 | |
| SCHEMBL29953233 | 0.75 | L3MBTL1 (0.57) | TAS2R14L3MBTL1CNR1CNR2MAPT | |
| SCHEMBL4281857 | 0.73 | CACNA1B (0.74) | CACNA1BCACNA1C | |
| SCHEMBL3485873 | 0.70 | CACNA1B (0.47) | L3MBTL1CACNA1BMAPTGAAKDM4E | |
| SCHEMBL23012243 | 0.70 | TAS2R14 (0.65) | TAS2R14CNR1CNR2MAPT | |
| SCHEMBL3485881 | 0.70 | CACNA1B (0.59) | CACNA1B | |
| SCHEMBL12062181 | 0.69 | SLC6A2 (0.46) | TAS2R14L3MBTL1CACNA1BCACNA1CCNR1 | |
| SCHEMBL22866793 | 0.68 | TAS2R14 (0.62) | TAS2R14CNR1CNR2MAPT |
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-113631557-A | JAK kinase inhibitor, preparation method thereof and application thereof in medical field | 上海华汇拓医药科技有限公司 | 2021-11-09 | — | — | CN | disclosed |