Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.47 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NPY1R | P25929 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | NPY2R | P49146 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL316094 | 0.95 | KCNH2 (0.49) | KCNH2SCN9ASCN5AHDAC1KDM4E | |
| SCHEMBL316331 | 0.93 | KCNH2 (0.46) | KCNH2SCN9ASCN5AHDAC1KDM4E | |
| SCHEMBL316308 | 0.93 | KCNH2 (0.46) | KCNH2SCN9ASCN5AHDAC1KDM4E | |
| SCHEMBL316174 | 0.90 | KCNH2 (0.47) | KCNH2SCN9ASCN5AHDAC1KDM4E | |
| SCHEMBL316450 | 0.87 | KCNH2 (0.47) | KCNH2SCN9ASCN5AHDAC1KDM4E | |
| SCHEMBL316416 | 0.87 | KCNH2 (0.46) | KCNH2SCN9ASCN5AHDAC1KDM4E | |
| SCHEMBL317313 | 0.87 | PKM (0.47) | KCNH2SCN9ASCN5AHDAC1KDM4E | |
| SCHEMBL315123 | 0.86 | KCNH2 (0.45) | KCNH2SCN9ASCN5AHDAC1KDM4E | |
| SCHEMBL316216 | 0.85 | KCNH2 (0.46) | KCNH2SCN9ASCN5AHDAC1KDM4E | |
| SCHEMBL315767 | 0.80 | OPRM1 (0.52) | KCNH2SCN9ASCN5AHDAC1KDM4E |
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 |