Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | OXTR | P30559 | 1/20 | 0.37 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28513088 | 0.87 | GAA (0.41) | GAAKDM4EMAPTL3MBTL1OXTR | |
| SCHEMBL229169 | 0.83 | GAA (0.51) | GAAKDM4EMAPTL3MBTL1OXTR | |
| SCHEMBL502303 | 0.75 | GAA (0.50) | GAAKDM4EMAPTL3MBTL1OXTR | |
| SCHEMBL15926086 | 0.74 | KDM4E (0.49) | GAAKDM4EMAPTL3MBTL1OXTR | |
| SCHEMBL25325647 | 0.73 | GAA (0.46) | GAAKDM4EMAPTL3MBTL1ALDH1A1 | |
| SCHEMBL9279836 | 0.69 | GAA (0.63) | GAAKDM4EMAPTL3MBTL1OXTR | |
| SCHEMBL30074794 | 0.67 | — | — | |
| SCHEMBL28906689 | 0.67 | — | — | |
| SCHEMBL30074799 | 0.67 | — | — | |
| SCHEMBL28516487 | 0.67 | — | — |
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-112279840-B | Deuterated enaminocarbonyl compound and preparation method and application thereof | 徐州汇川生物科技有限公司 | 2022-11-22 | — | — | CN | disclosed |
| CN-112279840-A | Deuterated ene ammonia carbonyl compound and preparation method and application thereof | 徐州汇川生物科技有限公司 | 2021-01-29 | — | — | CN | disclosed |