Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 2/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.36 |
| ▸ | APBA1 | Q02410 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.34 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2826024 | 0.89 | ALDH1A1 (0.48) | GRM5ALDH1A1CACNA1BAPBA1KMT2A | |
| SCHEMBL2832110 | 0.88 | CDK5 (0.37) | GRM5CNR1ALDH1A1CACNA1BAPBA1 | |
| SCHEMBL2829443 | 0.82 | MEN1 (0.50) | GRM5KMT2AHTTTSHRHPGD | |
| SCHEMBL2830024 | 0.82 | ALDH1A1 (0.42) | GRM5ALDH1A1KMT2AGAAHPGD | |
| SCHEMBL2832981 | 0.81 | EPHX2 (0.52) | KMT2AHTTTSHRMEN1CYP1A2 | |
| SCHEMBL2830068 | 0.81 | SMN1; SMN2 (0.44) | ALDH1A1KMT2AHTTGAATSHR | |
| SCHEMBL2827177 | 0.79 | ALDH1A1 (0.46) | GRM5ALDH1A1KMT2AGAAMEN1 | |
| SCHEMBL2831135 | 0.78 | NPC1 (0.51) | ALDH1A1KMT2AMAPK1HPGDCYP3A4 | |
| SCHEMBL2828482 | 0.77 | NPC1 (0.50) | KMT2AGAAMEN1MAPT | |
| SCHEMBL2828420 | 0.77 | GRK2 (0.44) | GRM5ALDH1A1KMT2AMAPK1HTT |
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-1844044-B1 | THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2010-07-21 | — | — | EP | claimed |