Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSA | P10619 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.36 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HAVCR2 | Q8TDQ0 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ATF1 | P18846 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | PRKAG1 | P54619 | 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 | |
|---|---|---|---|---|
| SCHEMBL29440739 | 0.92 | HAVCR2 (0.42) | CTSAGPBAR1NUDT1CNR2HAVCR2 | |
| SCHEMBL21101077 | 0.92 | HAVCR2 (0.42) | CTSAGPBAR1NUDT1CNR2HAVCR2 | |
| Hydrochloric Acid SCHEMBL28436307 | 0.91 | HAVCR2 (0.41) | CTSAGPBAR1NUDT1CNR2HAVCR2 | |
| Hydrochloric Acid SCHEMBL30853500 | 0.91 | HAVCR2 (0.41) | CTSAGPBAR1NUDT1CNR2HAVCR2 | |
| SCHEMBL22118244 | 0.88 | ATF1 (0.38) | CTSAGPBAR1NUDT1CNR2ATF1 | |
| SCHEMBL20702326 | 0.86 | MEN1 (0.47) | SMN1; SMN2POLBMAPTKDM4E | |
| SCHEMBL22118278 | 0.81 | SSTR2 (0.36) | GPBAR1NUDT1MAPT | |
| SCHEMBL22118251 | 0.80 | MEN1 (0.39) | NPC1SMN1; SMN2GAAMAPTKDM4E | |
| SCHEMBL20154226 | 0.79 | CNR2 (0.41) | SMN1; SMN2POLBCNR2MAPTKDM4E | |
| SCHEMBL22135011 | 0.79 | SSTR2 (0.34) | GPBAR1NUDT1 |
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-2019115768-A1 | PROCESS FOR PREPARING ANTIHELMINTIC 4-AMINO-QUINOLINE-3-CARBOXAMIDE DERIVATIVES | BAYER ANIMAL HEALTH GMBH (DE) | 2019-06-20 | — | — | WO | disclosed |