Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Propionitrile SCHEMBL27934880 | 0.81 | ALDH1A1 (0.39) | ALDH1A1MEN1KMT2AMCL1KDM4E | |
| SCHEMBL4544097 | 0.79 | — | — | |
| SCHEMBL4438376 | 0.79 | — | — | |
| SCHEMBL4544101 | 0.79 | — | — | |
| Propionitrile SCHEMBL27668043 | 0.77 | — | — | |
| Propionitrile SCHEMBL9729826 | 0.72 | MEN1 (0.52) | ALDH1A1MEN1KMT2AMCL1TSHR | |
| Propionitrile SCHEMBL9729817 | 0.72 | MEN1 (0.52) | ALDH1A1MEN1KMT2AMCL1TSHR | |
| Maleic Acid SCHEMBL27748379 | 0.72 | MEN1 (0.56) | ALDH1A1MEN1KMT2ATSHR | |
| Maleic Acid SCHEMBL27748381 | 0.72 | MEN1 (0.56) | ALDH1A1MEN1KMT2ATSHR | |
| Acetamide SCHEMBL28230092 | 0.71 | — | — |
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-106492218-A | Purposes of the aminopropionitrile in medicine is prepared | 清华大学 | 2017-03-15 | — | — | CN | disclosed |