Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.43 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | DDR2 | Q16832 | 1/20 | 0.43 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.43 |
| ▸ | MAP3K20 | Q9NYL2 | 1/20 | 0.43 |
| ▸ | MAP3K2 | Q9Y2U5 | 1/20 | 0.43 |
| ▸ | CCR1 | P32246 | 2/20 | 0.42 |
| ▸ | TRPC3 | Q13507 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | SPR | P35270 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
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 | 0.96 | HSD11B1 (0.44) | KDM4EALDH1A1HSD11B1MAPTDDR1 | |
| SCHEMBL315879 | 0.93 | CCR1 (0.44) | KDM4EALDH1A1HSD11B1MAPTDDR1 | |
| SCHEMBL316498 | 0.93 | NPSR1 (0.44) | KDM4EALDH1A1HSD11B1MAPTDDR1 | |
| SCHEMBL315130 | 0.93 | NPC1 (0.45) | KDM4EALDH1A1HSD11B1MAPTDDR1 | |
| SCHEMBL315441 | 0.92 | KDM4E (0.46) | KDM4EALDH1A1HSD11B1MAPTDDR1 | |
| SCHEMBL315268 | 0.90 | ALDH1A1 (0.43) | KDM4EALDH1A1HSD11B1MAPTDDR1 | |
| SCHEMBL316470 | 0.90 | KDM4E (0.43) | KDM4EALDH1A1HSD11B1MAPTDDR1 | |
| SCHEMBL10366974 | 0.82 | HSD11B1 (0.56) | KDM4EALDH1A1HSD11B1MAPTDDR1 | |
| SCHEMBL2851938 | 0.80 | SPR (0.56) | KDM4EALDH1A1HSD11B1MAPTDDR1 | |
| SCHEMBL315499 | 0.79 | HSD11B1 (0.42) | KDM4EALDH1A1HSD11B1MAPTCCR1 |
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 |