Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | TRPC3 | Q13507 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SPR | P35270 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.40 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.40 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.40 |
| ▸ | DDR2 | Q16832 | 1/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.40 |
| ▸ | MAP3K20 | Q9NYL2 | 1/20 | 0.40 |
| ▸ | MAP3K2 | Q9Y2U5 | 1/20 | 0.40 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.39 |
| ▸ | GPR6 | P46095 | 1/20 | 0.39 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
| ▸ | CCR1 | P32246 | 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 | |
|---|---|---|---|---|
| SCHEMBL315779 | 0.97 | HSD11B1 (0.44) | NPSR1HSD11B1TRPC3KDM4EALDH1A1 | |
| SCHEMBL315130 | 0.93 | NPC1 (0.45) | NPSR1HSD11B1TRPC3KDM4EALDH1A1 | |
| SCHEMBL315976 | 0.93 | KDM4E (0.48) | NPSR1HSD11B1TRPC3KDM4EALDH1A1 | |
| SCHEMBL315879 | 0.89 | CCR1 (0.44) | NPSR1HSD11B1TRPC3KDM4EALDH1A1 | |
| SCHEMBL315268 | 0.87 | ALDH1A1 (0.43) | NPSR1HSD11B1TRPC3KDM4EALDH1A1 | |
| SCHEMBL316470 | 0.85 | KDM4E (0.43) | NPSR1HSD11B1TRPC3KDM4EALDH1A1 | |
| SCHEMBL315441 | 0.85 | KDM4E (0.46) | NPSR1HSD11B1TRPC3KDM4EALDH1A1 | |
| SCHEMBL10366974 | 0.81 | HSD11B1 (0.56) | HSD11B1TRPC3KDM4EALDH1A1MAPT | |
| SCHEMBL315499 | 0.80 | HSD11B1 (0.42) | NPSR1HSD11B1TRPC3KDM4EALDH1A1 | |
| SCHEMBL2851938 | 0.79 | SPR (0.56) | HSD11B1TRPC3KDM4EALDH1A1MAPT |
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-8093272-B2 | Heteroaryl substituted cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2012-01-10 | — | — | US | claimed |
| US-8093272-B2 | Heteroaryl substituted cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2012-01-10 | — | — | US | disclosed |