Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | MMP13 | P45452 | 2/20 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 0.58 |
| ▸ | CA9 | Q16790 | 1/20 | 0.58 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.55 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.55 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.55 |
| ▸ | PRKCG | P05129 | 1/20 | 0.55 |
| ▸ | PRKACA | P17612 | 1/20 | 0.55 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | AKT1 | P31749 | 1/20 | 0.55 |
| ▸ | GSK3A | P49840 | 1/20 | 0.55 |
| ▸ | GSK3B | P49841 | 1/20 | 0.55 |
| ▸ | PRKX | P51817 | 1/20 | 0.55 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.55 |
| ▸ | PRKG2 | Q13237 | 1/20 | 0.55 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL2995747 | 0.93 | CA1 (0.67) | NPC1RAB9AKDM4EMMP13CA1 | |
| SCHEMBL27601024 | 0.88 | NPC1 (0.71) | NPC1RAB9ALMNASMN1; SMN2HDAC3 | |
| SCHEMBL1161697 | 0.83 | MMP13 (0.82) | KDM4EMMP13CA1CA9ROCK2 | |
| SCHEMBL2998613 | 0.81 | L3MBTL1 (0.72) | NPC1RAB9ACA1CA9CYP3A4 | |
| SCHEMBL2986200 | 0.80 | ALDH1A1 (0.83) | NPC1RAB9ACA1CA9CYP3A4 | |
| SCHEMBL2995407 | 0.78 | RAB9A (0.72) | NPC1RAB9ACA1CA9HTT | |
| Nialamide SCHEMBL49430 | 0.77 | CA1 (0.62) | RAB9AKDM4EMMP13CA1CA9 | |
| SCHEMBL26107357 | 0.77 | HDAC3 (0.68) | NPC1RAB9AHDAC3HDAC1HDAC6 | |
| SCHEMBL2998249 | 0.76 | ROCK1 (0.52) | CA1CA9ROCK2MAP4K4GSK3B | |
| Nialamide SCHEMBL7324704 | 0.76 | CA1 (0.61) | RAB9AKDM4EMMP13CA1CA9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5117057-A | Insecticidal N' substituted-N-N'-disubstituted-hydrazines | ROHM AND HAAS COMPANY (US) | 1992-05-26 | — | — | US | disclosed |