Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 6/20 | 0.44 |
| ▸ | GAA | P10253 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL22966581 | 0.80 | GSR (0.37) | PDE10AGAAMEN1MAPK1KMT2A | |
| SCHEMBL16470353 | 0.79 | PDE10A (0.42) | PDE10AGAAALDH1A1NR1I2CYP3A4 | |
| SCHEMBL263398 | 0.74 | ALDH1A1 (0.45) | PDE10AGAAALDH1A1NR1I2CYP3A4 | |
| SCHEMBL95057 | 0.73 | — | — | |
| Iodide SCHEMBL28449438 | 0.72 | ALDH1A1 (0.44) | PDE10AGAAALDH1A1NR1I2CYP3A4 | |
| SCHEMBL18256087 | 0.71 | ALDH1A1 (0.43) | PDE10AGAAALDH1A1TP53THRB | |
| SCHEMBL21452365 | 0.68 | OGA (0.44) | GAAALDH1A1TP53RAB9APDCD1 | |
| SCHEMBL7910237 | 0.68 | ALDH1A1 (0.41) | PDE10AGAAALDH1A1TP53THRB | |
| SCHEMBL13563391 | 0.67 | RAB9A (0.39) | GAAALDH1A1TP53KDM4ERAB9A | |
| SCHEMBL24202463 | 0.67 | ALDH1A1 (0.50) | PDE10AGAAALDH1A1NR1I2CYP3A4 |
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-2019192506-A1 | IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF | BETTA PHARMACEUTICALS CO., LTD (CN) | 2019-10-10 | — | — | WO | disclosed |