Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | G6PD | P11413 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 6/20 | 0.35 |
| ▸ | PDE5A | O76074 | 1/20 | 0.35 |
| ▸ | TNKS | O95271 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL5821054 | 0.80 | G6PD (0.52) | ALDH1A1G6PDMAPTTHRBMAPK1 | |
| SCHEMBL5821434 | 0.77 | ALDH1A1 (0.42) | ALDH1A1RAB9ANPSR1G6PDPIK3CD | |
| SCHEMBL5821030 | 0.74 | GAA (0.31) | ALDH1A1KMT2AGAA | |
| SCHEMBL5820973 | 0.74 | ALDH1A1 (0.43) | ALDH1A1RAB9ANPSR1G6PDNPC1 | |
| SCHEMBL5818323 | 0.73 | G6PD (0.53) | ALDH1A1G6PDMAPTTHRBMAPK1 | |
| SCHEMBL5815685 | 0.71 | AOC3 (0.41) | ALDH1A1MAPTSMN1; SMN2CYP3A4CYP2C9 | |
| SCHEMBL5821417 | 0.71 | ALDH1A1 (0.36) | ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL5823518 | 0.71 | G6PD (0.57) | ALDH1A1RAB9ANPSR1G6PDMAPT | |
| SCHEMBL5818138 | 0.69 | G6PD (0.56) | ALDH1A1RAB9ANPSR1G6PDMAPT | |
| SCHEMBL5815528 | 0.69 | GAA (0.38) | CYP2D6KMT2AGAA |
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-2006129181-A2 | PREPARATION OF 4-PYRIMIDONE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2006-12-07 | — | — | WO | disclosed |