Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | EDNRB | P24530 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MC4R | P32245 | 1/20 | 0.41 |
| ▸ | MC3R | P41968 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.40 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4780750 | 0.82 | ALDH1A1 (0.51) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL3824781 | 0.81 | KCNA5 (0.50) | ALDH1A1TSHRKMT2A | |
| SCHEMBL13506682 | 0.79 | FFAR1 (0.49) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL28842802 | 0.76 | CYP2D6 (0.46) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL14935912 | 0.76 | GSR (0.50) | ALDH1A1LMNA | |
| SCHEMBL14935978 | 0.76 | GSR (0.50) | ALDH1A1LMNA | |
| SCHEMBL5988113 | 0.76 | TAAR1 (0.54) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL16398170 | 0.76 | GSR (0.50) | ALDH1A1LMNA | |
| SCHEMBL14268236 | 0.76 | TAAR1 (0.54) | SLC6A3 | |
| SCHEMBL7857 | 0.76 | TAAR1 (0.54) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0852142-A1 | Diamines in the treatment of arrhythmia | SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) | 1998-07-08 | — | — | EP | disclosed |
| EP-0639973-A1 | DIAMINES IN THE TREATMENT OF ARRHYTHMIA | SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) | 1995-03-01 | — | — | EP | disclosed |
| WO-1993023024-A1 | DIAMINES IN THE TREATMENT OF ARRHYTHMIA | SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) | 1993-11-25 | — | — | WO | disclosed |