Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | COMT | P21964 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12077960 | 0.86 | MAPT (0.57) | TSHRMAPTLMNAGAAALDH1A1 | |
| SCHEMBL12077284 | 0.86 | MAPT (0.57) | TSHRMAPTLMNAGAAALDH1A1 | |
| SCHEMBL28811233 | 0.85 | TSHR (0.49) | TSHRMAPTLMNAGAAALDH1A1 | |
| SCHEMBL28811205 | 0.85 | MAPT (0.44) | TSHRMAPTLMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL26188701 | 0.82 | MAPT (0.62) | TSHRMAPTLMNAGAAALDH1A1 | |
| SCHEMBL28811226 | 0.79 | TSHR (0.54) | TSHRMAPTLMNAGAAALDH1A1 | |
| SCHEMBL12077961 | 0.78 | MAPT (0.44) | TSHRMAPTLMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL4487187 | 0.76 | TDP1 (0.51) | TSHRMAPTLMNAGAAALDH1A1 | |
| SCHEMBL4487191 | 0.76 | TDP1 (0.51) | TSHRMAPTLMNAGAAALDH1A1 | |
| SCHEMBL4487195 | 0.76 | TDP1 (0.51) | TSHRMAPTLMNAGAAALDH1A1 |
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-114874109-A | Novel alpha-cyano-beta-amino acrylate compound and synthetic method thereof | 福建师范大学 | 2022-08-09 | — | — | CN | disclosed |