Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NNMT | P40261 | 5/20 | 0.70 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.58 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.58 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | OXTR | P30559 | 1/20 | 0.42 |
| ▸ | KLK3 | P07288 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | GPR183 | P32249 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PABPC1 | P11940 | 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 | |
|---|---|---|---|---|
| SCHEMBL30475723 | 1.00 | NNMT (0.70) | NNMTMKNK1MKNK2SIRT6MAPT | |
| SCHEMBL30475743 | 0.85 | NNMT (0.62) | NNMTMKNK1MKNK2MAPTMAOA | |
| SCHEMBL8664420 | 0.83 | NNMT (0.60) | NNMTMKNK1MKNK2MAPTMAOA | |
| SCHEMBL28522209 | 0.83 | NNMT (0.49) | NNMTMKNK1MKNK2MAPT | |
| SCHEMBL29975550 | 0.82 | NNMT (1.00) | NNMTMKNK1MKNK2SIRT6MAPT | |
| SCHEMBL71905 | 0.82 | NNMT (1.00) | NNMTMKNK1MKNK2SIRT6MAPT | |
| SCHEMBL1515510 | 0.81 | NNMT (0.72) | NNMTMKNK1MKNK2SIRT6MAPT | |
| Hydrochloric Acid SCHEMBL5013391 | 0.81 | NNMT (0.96) | NNMTMKNK1MKNK2SIRT6MAPT | |
| Hydrochloric Acid SCHEMBL6234386 | 0.81 | NNMT (0.96) | NNMTMKNK1MKNK2SIRT6MAPT | |
| SCHEMBL18228074 | 0.78 | NNMT (0.72) | NNMTMKNK1MKNK2SIRT6MAPT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111875585-B | Kinase inhibitors | 上海艾力斯医药科技股份有限公司 | 2023-06-23 | — | — | CN | disclosed |
| CN-112409360-B | Heteroaryl vinyl xanthine derivatives and uses thereof | 广东东阳光药业有限公司 | 2022-12-23 | — | — | CN | disclosed |
| CN-112409360-A | Heteroaryl vinyl xanthine derivatives and uses thereof | 广东东阳光药业有限公司 | 2021-02-26 | — | — | CN | disclosed |
| CN-111892579-A | Kinase inhibitor | 上海复尚慧创医药研究有限公司 | 2020-11-06 | — | — | CN | disclosed |
| CN-111875585-A | Kinase inhibitor | 上海复尚慧创医药研究有限公司 | 2020-11-03 | — | — | CN | disclosed |
| CN-106660993-B | Kinase inhibitor | 上海复尚慧创医药研究有限公司 | 2020-09-11 | — | — | CN | disclosed |
| WO-2015188777-A1 | CERTAIN PROTEIN KINASE INHIBITORS | SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) | 2015-12-17 | — | — | WO | disclosed |