Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SOS1 | Q07889 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.31 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.31 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.31 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.31 |
| ▸ | STAT3 | P40763 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9979922 | 0.76 | SOS1 (0.44) | SOS1MAOBAOC3HTR2ASLC6A4 | |
| SCHEMBL15088450 | 0.74 | SOS1 (0.42) | SOS1MAOBAOC3HTR2ASLC6A4 | |
| SCHEMBL254529 | 0.74 | CA12 (0.50) | SLC6A4NFE2L2ALDH1A1MAPTHTT | |
| SCHEMBL29513208 | 0.74 | CA12 (0.50) | SLC6A4NFE2L2ALDH1A1MAPTHTT | |
| SCHEMBL8228103 | 0.74 | SOS1 (0.47) | SOS1MAOBAOC3HTR2ASLC6A4 | |
| SCHEMBL1547827 | 0.74 | SOS1 (0.42) | SOS1MAOBAOC3HTR2ASLC6A4 | |
| SCHEMBL7168416 | 0.74 | SOS1 (0.42) | SOS1MAOBAOC3HTR2ASLC6A4 | |
| SCHEMBL25956250 | 0.72 | CES2 (0.36) | CES2CES1 | |
| Hydrochloric Acid SCHEMBL12979488 | 0.72 | SOS1 (0.46) | SOS1MAOBAOC3HTR2ASLC6A4 | |
| SCHEMBL177743 | 0.72 | SOS1 (0.41) | SOS1MAOBAOC3HTR2ASLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2855459-B1 | AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2020-04-29 | — | — | EP | disclosed |