Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.43 |
| ▸ | MEN1 | O00255 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | STAT1 | P42224 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13600415 | 0.81 | NPC1 (0.47) | CYP2C19NPC1RAB9AKDM4EMAPT | |
| SCHEMBL9313620 | 0.79 | NPC1 (0.46) | CYP2C19NPC1RAB9AKDM4EMAPT | |
| SCHEMBL24128114 | 0.78 | NPC1 (0.45) | CYP2C19NPC1RAB9AKDM4EMAPT | |
| SCHEMBL4076540 | 0.77 | L3MBTL1 (0.42) | NPC1RAB9AKDM4EMAPTKMT2A | |
| SCHEMBL1478401 | 0.77 | CYP2C19 (0.48) | CYP2C19NPC1RAB9AKDM4EMAPT | |
| SCHEMBL12883348 | 0.76 | NPC1 (0.44) | CYP2C19NPC1RAB9AKDM4EMAPT | |
| SCHEMBL8346152 | 0.76 | CYP2C19 (0.44) | CYP2C19NPC1RAB9AKDM4EMAPT | |
| SCHEMBL12411077 | 0.76 | NPC1 (0.44) | CYP2C19NPC1RAB9AKDM4EMAPT | |
| SCHEMBL6386093 | 0.74 | CYP2C19 (0.47) | CYP2C19NPC1RAB9AKDM4EMAPT | |
| SCHEMBL24344306 | 0.73 | KMT2A (0.47) | CYP2C19NPC1RAB9AKDM4EMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0313630-B1 | SUBSTITUTED 2-ACYLPYRIDIN-ALPHA-(N)-HETARYLHYDRAZONES AND MEDICAMENTS CONTAINING SAME | DEUTSCHES AUSSÄTZIGEN HILFSWERK E.V. (DE) | 1992-09-16 | — | — | EP | disclosed |
| US-5084458-A | Bactericides, malaria and antitumor agents | SCHAPER KLAUS JUERGEN (DE) | 1992-01-28 | — | — | US | disclosed |
| US-4997835-A | Bactericides, malaria, antitumor | SCHAPER KLAUS JUERGEN (DE) | 1991-03-05 | — | — | US | disclosed |
| EP-0313630-A1 | SUBSTITUTED 2-ACYLPYRIDIN-ALPHA-(N)-HETARYLHYDRAZONES AND MEDICAMENTS CONTAINING SAME. | DEUTSCHES AUSSATZIGEN HILFSWER (DE) | 1989-05-03 | — | — | EP | disclosed |