Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | SPR | P35270 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CCR1 | P32246 | 2/20 | 0.40 |
| ▸ | TRPC3 | Q13507 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | GPR6 | P46095 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL10366974 | 0.80 | HSD11B1 (0.56) | HSD11B1SPRKDM4EALDH1A1CCR1 | |
| SCHEMBL315879 | 0.80 | CCR1 (0.44) | HSD11B1SPRKDM4EALDH1A1CCR1 | |
| SCHEMBL316498 | 0.80 | NPSR1 (0.44) | HSD11B1SPRKDM4EALDH1A1CCR1 | |
| SCHEMBL315779 | 0.79 | HSD11B1 (0.44) | HSD11B1SPRKDM4EALDH1A1CCR1 | |
| SCHEMBL315976 | 0.79 | KDM4E (0.48) | HSD11B1SPRKDM4EALDH1A1CCR1 | |
| SCHEMBL2851938 | 0.79 | SPR (0.56) | HSD11B1SPRKDM4EALDH1A1TRPC3 | |
| SCHEMBL315268 | 0.78 | ALDH1A1 (0.43) | HSD11B1SPRKDM4EALDH1A1CCR1 | |
| SCHEMBL315723 | 0.78 | ALDH1A1 (0.54) | HSD11B1ALDH1A1MAPTTP53 | |
| SCHEMBL315441 | 0.77 | KDM4E (0.46) | HSD11B1SPRKDM4EALDH1A1CCR1 | |
| SCHEMBL316470 | 0.77 | KDM4E (0.43) | HSD11B1SPRKDM4EALDH1A1CCR1 |
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 |