Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G1B | P04054 | 2/20 | 0.43 |
| ▸ | ATG4B | Q9Y4P1 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | SNCA | P37840 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | DPP7 | Q9UHL4 | 3/20 | 0.36 |
| ▸ | VNN1 | O95497 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22307309 | 0.91 | KMT2A (0.38) | ALDH1A1MAPTLMNACYP2C19 | |
| SCHEMBL3937741 | 0.81 | ADH1B (0.48) | ALDH1A1MAPTLMNAAPPSNCA | |
| SCHEMBL22307312 | 0.78 | EPHX2 (0.47) | ALDH1A1RAB9AMAPTLMNACYP2C19 | |
| SCHEMBL17261148 | 0.76 | PLA2G1B (0.47) | PLA2G1BATG4BALDH1A1RAB9AMAPT | |
| SCHEMBL22307305 | 0.75 | MAPT (0.39) | ALDH1A1RAB9AMAPTLMNACYP3A4 | |
| SCHEMBL22307234 | 0.75 | TSHR (0.44) | PLA2G1BATG4BALDH1A1CYP2D6CYP2C9 | |
| SCHEMBL22307316 | 0.73 | KMT2A (0.58) | ALDH1A1RAB9AMAPTLMNAHTT | |
| SCHEMBL22306357 | 0.72 | GAA (0.41) | ALDH1A1MAPTLMNAHTT | |
| SCHEMBL5641254 | 0.71 | ALDH1A1 (0.41) | PLA2G1BATG4BALDH1A1RAB9AMAPT | |
| SCHEMBL3943662 | 0.70 | NPC1 (0.51) | ALDH1A1RAB9ACYP2C9CYP2C19 |
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 |