Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.32 |
| ▸ | FBP1 | P09467 | 1/20 | 0.31 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL498175 | 0.89 | — | — | |
| SCHEMBL497630 | 0.81 | TSHR (0.38) | DRD4ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL577126 | 0.81 | — | — | |
| SCHEMBL21178116 | 0.80 | DRD4 (0.40) | DRD4ESR2ADORA3ADORA2AADORA2B | |
| SCHEMBL21178152 | 0.80 | DRD4 (0.40) | DRD4ESR2ADORA3ADORA2AADORA2B | |
| SCHEMBL25524077 | 0.80 | ALDH1A1 (0.38) | DRD4ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL25483361 | 0.80 | ALDH1A1 (0.38) | DRD4ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL21178115 | 0.80 | DRD4 (0.40) | DRD4ESR2ADORA3ADORA2AADORA2B | |
| SCHEMBL1606341 | 0.79 | TSHR (0.40) | DRD4ALDH1A1NOS3NOS2TSHR | |
| Hydrochloric Acid SCHEMBL13275658 | 0.78 | ALDH1A1 (0.37) | DRD4ADORA3ADORA2AADORA2BADORA1 |
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-0439556-A4 | HETEROCYCLIC PEPTIDE RENIN INHIBITORS | — | 1991-10-30 | — | — | EP | disclosed |