Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.40 |
| ▸ | CHRNG | P07510 | 1/20 | 0.40 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | CHRND | Q07001 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL28534039 | 0.89 | SLC6A2 (0.43) | KDM4EALDH1A1GAACHRNA1CHRNG | |
| SCHEMBL28909639 | 0.86 | SLC6A2 (0.46) | ALDH1A1GAACHRNA1CHRNGCHRNB1 | |
| SCHEMBL28534011 | 0.86 | MAPT (0.41) | ALDH1A1GAASLC6A2SLC6A3MAPK1 | |
| SCHEMBL28529983 | 0.85 | MEN1 (0.47) | ALDH1A1GAAMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL28540144 | 0.80 | SLC6A3 (0.40) | ALDH1A1GAASLC6A2SLC6A3LMNA | |
| SCHEMBL28540942 | 0.78 | SMN1; SMN2 (0.43) | ALDH1A1GAALMNATSHRMEN1 | |
| SCHEMBL28269366 | 0.78 | MAPT (0.41) | KDM4EALDH1A1GAASLC6A2SLC6A3 | |
| SCHEMBL28271133 | 0.77 | SLC2A1 (0.44) | ALDH1A1SLC6A2SLC6A3MAPK1LMNA | |
| SCHEMBL18342408 | 0.76 | CHRNA1 (0.47) | KDM4EALDH1A1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL28526427 | 0.75 | TSHR (0.41) | ALDH1A1GAASLC6A2SLC6A3TSHR |
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-109232316-B | Synthetic method of alpha-tertiary nitrile structure beta-dicarbonyl compound | 昆明学院 | 2021-03-26 | — | — | CN | claimed |
| CN-109232316-B | Synthetic method of alpha-tertiary nitrile structure beta-dicarbonyl compound | 昆明学院 | 2021-03-26 | — | — | CN | disclosed |