Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.34 |
| ▸ | HTR3B | O95264 | 3/20 | 0.34 |
| ▸ | HTR3A | P46098 | 3/20 | 0.34 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.34 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.34 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.34 |
| ▸ | DRD3 | P35462 | 2/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL102501 | 0.86 | ALDH1A1 (0.50) | ALDH1A1POLBGAAGFERHTR3E | |
| SCHEMBL102502 | 0.86 | ALDH1A1 (0.50) | ALDH1A1POLBGAAGFERHTR3E | |
| SCHEMBL8381824 | 0.78 | ALDH1A1 (0.43) | ALDH1A1POLBGAAGFERHTR3E | |
| SCHEMBL102163 | 0.77 | POLB (0.42) | ALDH1A1POLBGAAGFERHTR3E | |
| SCHEMBL102164 | 0.77 | POLB (0.42) | ALDH1A1POLBGAAGFERHTR3E | |
| SCHEMBL7242129 | 0.77 | PBRM1 (0.44) | ALDH1A1POLBGAATAAR1MEN1 | |
| SCHEMBL17737959 | 0.68 | TSHR (0.50) | ALDH1A1GAAGFERSMN1; SMN2S100B | |
| SCHEMBL102710 | 0.68 | TSHR (0.50) | ALDH1A1GAAGFERSMN1; SMN2S100B | |
| SCHEMBL102709 | 0.68 | TSHR (0.50) | ALDH1A1GAAGFERSMN1; SMN2S100B | |
| SCHEMBL101068 | 0.67 | L3MBTL1 (0.50) | ALDH1A1POLBGAAGFERHTR3E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0858451-A1 | PHARMACEUTICALLY ACTIVE QUINAZOLINE COMPOUNDS | Astra Pharmaceuticals Limited (GB) | 1998-08-19 | — | — | EP | disclosed |
| WO-1997014686-A1 | PHARMACEUTICALLY ACTIVE QUINAZOLINE COMPOUNDS | ASTRA PHARMACEUTICALS LIMITED (GB) | 1997-04-24 | — | — | WO | disclosed |