Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP12 | P39900 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28540144 | 0.89 | SLC6A3 (0.40) | SMN1; SMN2ALDH1A1MAPTKMT2AMEN1 | |
| SCHEMBL28534011 | 0.86 | MAPT (0.41) | SMN1; SMN2CYP1A2CYP3A4ALDH1A1MAPT | |
| SCHEMBL28269366 | 0.86 | MAPT (0.41) | SMN1; SMN2CYP1A2ALDH1A1MAPTEPHX2 | |
| SCHEMBL28529983 | 0.86 | MEN1 (0.47) | SMN1; SMN2HTR2AALDH1A1MAPTKMT2A | |
| SCHEMBL28271133 | 0.85 | SLC2A1 (0.44) | SMN1; SMN2CYP1A2CYP3A4ALDH1A1MAPT | |
| SCHEMBL28909639 | 0.85 | SLC6A2 (0.46) | SMN1; SMN2ALDH1A1MAPTOPRK1KMT2A | |
| SCHEMBL28534039 | 0.79 | SLC6A2 (0.43) | ALDH1A1MAPTTDP1HTTGAA | |
| SCHEMBL28543578 | 0.79 | CASP1 (0.40) | SMN1; SMN2TSHRALDH1A1MAPTKMT2A | |
| SCHEMBL28540410 | 0.78 | KDM4E (0.40) | SMN1; SMN2TSHRALDH1A1KMT2AMEN1 | |
| SCHEMBL28526427 | 0.76 | TSHR (0.41) | SMN1; SMN2TSHRALDH1A1KMT2AMEN1 |
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 |