Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.63 |
| ▸ | POLB | P06746 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | CASP1 | P29466 | 1/20 | 0.55 |
| ▸ | CASP7 | P55210 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3047568 | 0.82 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6570247 | 0.81 | ALDH1A1 (0.69) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7930525 | 0.81 | ALDH1A1 (0.69) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2853227 | 0.78 | ALDH1A1 (0.64) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL29938824 | 0.78 | ALDH1A1 (0.51) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL453290 | 0.78 | ALDH1A1 (0.51) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8373652 | 0.77 | POLB (0.77) | ALDH1A1POLBKMT2AMEN1GAA | |
| SCHEMBL8537529 | 0.77 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2930352 | 0.76 | ALDH1A1 (0.66) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1882195 | 0.75 | CYP1A2 (0.55) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3331852-A1 | SUBSTITUTED MALONAMIDES AND THEIR USE AS ANTIBACTERIAL DRUGS | National Taiwan University (TW) | 2018-06-13 | — | — | EP | disclosed |
| WO-2017028745-A1 | SUBSTITUTED MALONAMIDES AND THEIR USE AS ANTIBACTERIAL DRUGS | SHIAU CHUNG-WAI (CN) | 2017-02-23 | — | — | WO | disclosed |