Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IGLV6-57 | P01721 | 2/20 | 0.40 |
| ▸ | S100B | P04271 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.38 |
| ▸ | AR | P10275 | 3/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.34 |
| ▸ | ESRRG | P62508 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.32 |
| ▸ | TERT | O14746 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | DRD5 | P21918 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23585140 | 0.87 | IGLV6-57 (0.44) | IGLV6-57S100BS1PR1ARCRHR1 | |
| SCHEMBL26805113 | 0.81 | TAAR1 (0.38) | S100BARTAAR1ALDH1A1HPGD | |
| SCHEMBL24220504 | 0.80 | S100B (0.47) | IGLV6-57S100BS1PR1ARCRHR1 | |
| SCHEMBL14981814 | 0.78 | TAAR1 (0.44) | S100BTAAR1ALDH1A1 | |
| SCHEMBL24614013 | 0.77 | HTR2A (0.37) | IGLV6-57S100BS1PR1ARL3MBTL1 | |
| SCHEMBL3288762 | 0.76 | S100B (0.52) | IGLV6-57S100BS1PR1ARCRHR1 | |
| SCHEMBL12623639 | 0.76 | ALDH1A1 (0.41) | IGLV6-57S100BS1PR1ALDH1A1CASP1 | |
| SCHEMBL27403843 | 0.75 | TAAR1 (0.34) | S100BS1PR1TAAR1ALDH1A1 | |
| SCHEMBL13878905 | 0.74 | TAAR1 (0.41) | S100BS1PR1TAAR1ALDH1A1 | |
| SCHEMBL3281873 | 0.74 | IGLV6-57 (0.40) | IGLV6-57S100BS1PR1ARCRHR1 |
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-1622880-B3 | SUBSTITUTED DIHYDROCHINAZOLINES HAVING ANTIVIRAL PROPERTIES | AICURIS ANTI INFECTIVE CURES GMBH (DE) | 2018-05-23 | — | — | EP | disclosed |