Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.37 |
| ▸ | PDE5A | O76074 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | STAT3 | P40763 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22116639 | 0.79 | KDM4E (0.36) | CYP3A4KDM4EALDH1A1PDE5ANPC1 | |
| SCHEMBL733300 | 0.77 | ALOX5 (0.49) | CYP3A4ALOX5NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20578956 | 0.76 | LMNA (0.34) | CYP3A4KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL747234 | 0.75 | PDGFRB (0.41) | CYP3A4KDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL2921924 | 0.74 | LTA4H (0.46) | CYP3A4LTA4HMAPK14KDM4EALDH1A1 | |
| SCHEMBL3058689 | 0.72 | MAPT (0.50) | ALOX5RAB9ASMN1; SMN2L3MBTL1MAPT | |
| SCHEMBL22116434 | 0.71 | MEN1 (0.38) | CYP3A4KDM4EALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL1654659 | 0.69 | CYP3A4 (0.54) | CYP3A4LTA4HMAPK14ALOX5EGLN1 | |
| SCHEMBL224231 | 0.68 | LTA4H (0.46) | CYP3A4LTA4HMAPK14ALOX5KDM4E | |
| SCHEMBL10324103 | 0.67 | MAPT (0.46) | LTA4HMAPK14NPC1RAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105636953-B | 1,4 dibasic pyridyl derivatives and its purposes for treating the illness related to SMN shortages | 诺华股份有限公司 | 2018-01-02 | — | — | CN | disclosed |
| CN-105636953-A | 1,4-disubstituted pyridazine derivatives and their use for treating smn-deficiency-related conditions | NOVARTIS AG | 2016-06-01 | — | — | CN | disclosed |