Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADA | P00813 | 1/20 | 0.39 |
| ▸ | PLK4 | O00444 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.36 |
| ▸ | PDE9A | O76083 | 10/20 | 0.36 |
| ▸ | PDE1C | Q14123 | 3/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.36 |
| ▸ | MTOR | P42345 | 3/20 | 0.36 |
| ▸ | PDE1B | Q01064 | 3/20 | 0.35 |
| ▸ | PDE5A | O76074 | 2/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | PDE8A | O60658 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27651256 | 0.84 | CYP3A4 (0.39) | PLK4MEN1ALDH1A1MAPTPKM | |
| Tert-Butyl Formate SCHEMBL27630985 | 0.80 | EGFR (0.45) | MEN1ALDH1A1MAPTPKMALOX15 | |
| Tert-Butyl Formate SCHEMBL27852878 | 0.78 | PDE9A (0.38) | PLK4MEN1ALDH1A1KMT2APDE9A | |
| Tert-Butyl Formate SCHEMBL27773612 | 0.77 | MTOR (0.54) | PIK3CAMTORPIK3CGATRAURKB | |
| SCHEMBL12137576 | 0.75 | PLK4 (0.41) | PLK4MEN1ALDH1A1MAPTPKM | |
| SCHEMBL1128374 | 0.74 | PIK3CA (0.56) | PIK3CAMTORPIK3CGATRAURKB | |
| Tert-Butyl Formate SCHEMBL28791757 | 0.73 | HTR6 (0.36) | PIK3CAMTORPIK3CG | |
| SCHEMBL28794665 | 0.73 | ADA (0.43) | ADAGRM1PDE9APDE1CPIK3CA | |
| Tert-Butyl Formate SCHEMBL27797759 | 0.71 | CHRNB2 (0.42) | MEN1ALDH1A1MAPTPKMALOX15 | |
| Tert-Butyl Formate SCHEMBL27934479 | 0.71 | CYP1A2 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102036991-A | GPR119 receptor agonists | HOFFMANN LA ROCHE | 2011-04-27 | — | — | CN | disclosed |