Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.64 |
| ▸ | ADRB2 | P07550 | 5/20 | 0.62 |
| ▸ | NR2E1 | Q9Y466 | 5/20 | 0.62 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.62 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.62 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.62 |
| ▸ | HTR2B | P41595 | 3/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.62 |
| ▸ | HTR2A | P28223 | 3/20 | 0.62 |
| ▸ | HTR2C | P28335 | 3/20 | 0.62 |
| ▸ | HTR6 | P50406 | 3/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.62 |
| ▸ | SCN1A | P35498 | 2/20 | 0.62 |
| ▸ | SLC10A1 | Q14973 | 2/20 | 0.62 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.62 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.62 |
| ▸ | HTR1A | P08908 | 2/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL9330604 | 0.88 | CYP2D6 (0.66) | CYP2D6ADRB2NR2E1ADRB1SIGMAR1 | |
| SCHEMBL11227323 | 0.86 | ADRB2 (0.69) | CYP2D6ADRB2NR2E1ADRB1SIGMAR1 | |
| Hydrochloric Acid SCHEMBL11234328 | 0.85 | ADRB2 (0.70) | CYP2D6ADRB2NR2E1ADRB1SIGMAR1 | |
| SCHEMBL8230138 | 0.85 | ADRB2 (0.67) | CYP2D6ADRB2NR2E1ADRB1SIGMAR1 | |
| SCHEMBL5509977 | 0.84 | CYP2D6 (0.69) | CYP2D6ADRB2NR2E1ADRB1SIGMAR1 | |
| SCHEMBL8761674 | 0.84 | NR2E1 (0.74) | CYP2D6ADRB2NR2E1ADRB1SIGMAR1 | |
| SCHEMBL10808517 | 0.84 | ADRB2 (0.59) | CYP2D6ADRB2ADRB1CYP1A2ADRB3 | |
| SCHEMBL7268460 | 0.84 | CASR (0.67) | CYP2D6ADRB2ADRB1CYP1A2SLC6A4 | |
| SCHEMBL7269307 | 0.82 | ADRB2 (0.66) | CYP2D6ADRB2ADRB1SLC6A4HTR2B | |
| SCHEMBL11143271 | 0.81 | CYP2D6 (0.65) | CYP2D6ADRB2NR2E1ADRB1SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5468746-A | A dicarboxy-4-aryldihydropyridine | ZAMBON GROUP S.P.A. (IT) | 1995-11-21 | — | — | US | disclosed |
| EP-0352863-A2 | 1,4-Dihydropyridine dicarboxylic acid derivatives | ZAMBON GROUP S.p.A. (IT) | 1990-01-31 | — | — | EP | disclosed |