Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2979402 | 0.77 | KDM4E (0.45) | SMN1; SMN2HPGDTSHRHTTALDH1A1 | |
| SCHEMBL30786742 | 0.73 | ALDH1A1 (0.49) | SMN1; SMN2HPGDTSHRMAPK10ALDH1A1 | |
| SCHEMBL16501607 | 0.71 | NUDT1 (0.42) | ALDH1A1KDM4ECYP1A2CYP3A4GAA | |
| SCHEMBL5338892 | 0.71 | ALDH1A1 (0.54) | SMN1; SMN2HPGDLMNATSHRHTT | |
| SCHEMBL9432628 | 0.70 | RAB9A (0.50) | SMN1; SMN2HPGDLMNAHTTALDH1A1 | |
| SCHEMBL30804680 | 0.70 | ALDH1A1 (0.56) | SMN1; SMN2HPGDTSHRALDH1A1KDM4E | |
| SCHEMBL11482235 | 0.69 | SMN1; SMN2 (0.49) | SMN1; SMN2HPGDLMNAHTTALDH1A1 | |
| SCHEMBL9656952 | 0.67 | KDM4E (0.51) | SMN1; SMN2HPGDLMNATSHRHTT | |
| SCHEMBL7100991 | 0.67 | KDM4E (0.58) | SMN1; SMN2HPGDALDH1A1KDM4ECYP1A2 | |
| SCHEMBL2979399 | 0.66 | ADORA2A (0.48) | HTTALDH1A1KDM4ECYP1A2CYP3A4 |
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-5162533-A | 3-CYANO-5,4'-BIPYRIDINE-1'-OXIDE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS CONTAINING THE SAME | ARZNEIMITTELWERK DRESDEN G.M.B.H. (DE) | 1992-11-10 | — | — | US | disclosed |
| EP-0445552-A1 | 3-Cyano-5,4'-bipyridine-1'-oxides, process for preparation and their pharmaceutical use | ARZNEIMITTELWERK DRESDEN GmbH (DE) | 1991-09-11 | — | — | EP | disclosed |