Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | GPR3 | P46089 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | STAT3 | P40763 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29923867 | 0.84 | GRM1 (0.45) | SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL24915844 | 0.84 | GRM1 (0.45) | SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11982911 | 0.81 | KMT2A (0.42) | KMT2ASMN1; SMN2MEN1CYP1A2NPSR1 | |
| SCHEMBL13227179 | 0.81 | MAPK1 (0.43) | CYP1A2CYP3A4CYP2C9L3MBTL1 | |
| SCHEMBL13227169 | 0.80 | SMN1; SMN2 (0.55) | KMT2ASMN1; SMN2MEN1CYP1A2NPSR1 | |
| SCHEMBL24916325 | 0.80 | BACE1 (0.47) | KMT2ACYP1A2GPR3ALDH1A1HPGD | |
| SCHEMBL29923623 | 0.80 | BACE1 (0.47) | KMT2ACYP1A2GPR3ALDH1A1HPGD | |
| SCHEMBL11982989 | 0.77 | GRM1 (0.39) | SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7253268 | 0.71 | CYP1A2 (0.63) | KMT2ASMN1; SMN2MEN1CYP1A2CYP2C19 | |
| SCHEMBL24915779 | 0.71 | MAPT (0.45) | KMT2ASMN1; SMN2MEN1NPSR1GPR3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1898914-B1 | QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS | JANSSEN PHARMACEUTICA NV (BE) | 2012-08-15 | — | — | EP | disclosed |