Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | KDM5A | P29375 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 2/20 | 0.38 |
| ▸ | RIPK2 | O43353 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | ANPEP | P15144 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL316320 | 0.86 | KCNH2 (0.46) | ALDH1A1MAPTKCNH2SCN9ATSHR | |
| SCHEMBL5572496 | 0.86 | ALDH1A1 (0.56) | ALDH1A1L3MBTL1RAB9AMAPTNPC1 | |
| SCHEMBL316461 | 0.72 | KCNH2 (0.44) | ALDH1A1MAPTKCNH2SCN9ATSHR | |
| SCHEMBL315633 | 0.72 | KCNH2 (0.44) | ALDH1A1MAPTKCNH2SCN9ATSHR | |
| SCHEMBL315767 | 0.70 | OPRM1 (0.52) | MAPTKCNH2SCN9AKDM4E | |
| Hydrochloric Acid SCHEMBL316061 | 0.69 | OPRM1 (0.54) | MAPTKCNH2SCN9AKDM4E | |
| SCHEMBL19132698 | 0.67 | ALDH1A1 (0.62) | ALDH1A1L3MBTL1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL4414127 | 0.67 | ALDH1A1 (0.77) | ALDH1A1L3MBTL1RAB9AMAPTNPC1 | |
| SCHEMBL10143960 | 0.67 | ALDH1A1 (0.77) | ALDH1A1L3MBTL1RAB9AMAPTNPC1 | |
| SCHEMBL29641496 | 0.66 | ALDH1A1 (0.61) | ALDH1A1L3MBTL1RAB9AMAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8093272-B2 | Heteroaryl substituted cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2012-01-10 | — | — | US | disclosed |