Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL316187 | 0.79 | NPC1 (0.43) | NPC1RAB9AL3MBTL1MAPK11MAPK14 | |
| SCHEMBL316611 | 0.76 | L3MBTL1 (0.51) | NPC1RAB9AOPRM1OPRL1L3MBTL1 | |
| SCHEMBL315499 | 0.75 | HSD11B1 (0.42) | OPRM1OPRL1KDM4EALDH1A1CNR1 | |
| SCHEMBL315547 | 0.74 | GHSR (0.58) | L3MBTL1HPGDKDM4ELMNAALDH1A1 | |
| Hydrochloric Acid SCHEMBL314995 | 0.74 | GHSR (0.57) | HPGDKDM4ELMNAALDH1A1 | |
| SCHEMBL316297 | 0.73 | TSHR (0.50) | OPRM1OPRL1KDM4ELMNAALDH1A1 | |
| SCHEMBL315788 | 0.73 | POLB (0.55) | NPC1HPGDLMNAALDH1A1 | |
| Hydrochloric Acid SCHEMBL316635 | 0.73 | TSHR (0.49) | OPRM1OPRL1KDM4ELMNAALDH1A1 | |
| SCHEMBL315615 | 0.72 | KMT2A (0.62) | LMNAALDH1A1 | |
| SCHEMBL2985751 | 0.72 | CCR3 (0.53) | NPC1OPRM1OPRL1KDM4EPKM |
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 |