Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22307309 | 0.80 | KMT2A (0.38) | GAAALDH1A1MAPTKMT2AMEN1 | |
| SCHEMBL22307385 | 0.72 | PLA2G1B (0.43) | ALDH1A1HTTMAPTLMNA | |
| SCHEMBL15066607 | 0.72 | NPC1 (0.42) | ALDH1A1MAPTKMT2AMEN1NPC1 | |
| SCHEMBL22306359 | 0.70 | POLB (0.44) | GAAALDH1A1HTTMAPTKMT2A | |
| SCHEMBL22307305 | 0.69 | MAPT (0.39) | GAAALDH1A1HTTMAPTSMN1; SMN2 | |
| SCHEMBL22307312 | 0.69 | EPHX2 (0.47) | ALDH1A1MAPTSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL22307234 | 0.69 | TSHR (0.44) | ALDH1A1SMN1; SMN2KMT2AMEN1POLB | |
| SCHEMBL22306354 | 0.68 | GAA (0.58) | GAAALDH1A1HTTMAPTKMT2A | |
| SCHEMBL4573520 | 0.64 | — | — | |
| Water SCHEMBL27659125 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020156298-A1 | APPLICATION OF MALONONITRILE COMPOUND AS BACTERICIDE | 沈阳化工大学 | 2020-08-06 | — | — | WO | disclosed |