Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | GSR | P00390 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | KIT | P10721 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.40 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10146672 | 0.85 | PARG (0.46) | CYP1A2ALDH1A1MAPTHSD17B10MAPK14 | |
| SCHEMBL627059 | 0.84 | CTSK (0.45) | GSRMAPK14CTSK | |
| SCHEMBL10145939 | 0.79 | KCNN4 (0.38) | MAPK14ADORA2A | |
| SCHEMBL10145950 | 0.77 | MAPK14 (0.53) | ALDH1A1MAPTHSD17B10MAPK14SMN1; SMN2 | |
| SCHEMBL398678 | 0.71 | ADORA2A (0.54) | GAAALDH1A1NPC1RAB9AMAPT | |
| SCHEMBL18042018 | 0.71 | MAPK14 (0.69) | GSRCYP1A2MAPK14 | |
| SCHEMBL10146668 | 0.70 | GRM2 (0.70) | — | |
| SCHEMBL10145948 | 0.69 | GRM2 (0.49) | CYP1A2MAPK14ADORA2A | |
| SCHEMBL17537376 | 0.68 | CYP1A2 (0.58) | GAAPLA2G10CYP1A2BRD9ALDH1A1 | |
| SCHEMBL10146676 | 0.68 | GRM2 (0.47) | ALDH1A1MAPK14SMN1; SMN2HTT |
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-2012021382-A1 | POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 | MERCK SHARP & DOHME CORP. (US) | 2012-02-16 | — | — | WO | disclosed |