Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 6/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | UCHL1 | P09936 | 2/20 | 0.45 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | SLC9A3 | P48764 | 2/20 | 0.42 |
| ▸ | GHSR | Q92847 | 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 | |
|---|---|---|---|---|
| SCHEMBL1951112 | 1.00 | HSD11B1 (0.57) | HSD11B1NPC1RAB9AUCHL1USP30 | |
| SCHEMBL1951111 | 1.00 | HSD11B1 (0.57) | HSD11B1NPC1RAB9AUCHL1USP30 | |
| SCHEMBL1865290 | 1.00 | HSD11B1 (0.57) | HSD11B1NPC1RAB9AUCHL1USP30 | |
| SCHEMBL1950100 | 0.85 | HSD11B1 (0.58) | HSD11B1NPC1RAB9ALMNANPSR1 | |
| SCHEMBL1950099 | 0.85 | HSD11B1 (0.58) | HSD11B1NPC1RAB9ALMNANPSR1 | |
| SCHEMBL1950098 | 0.85 | HSD11B1 (0.58) | HSD11B1NPC1RAB9ALMNANPSR1 | |
| SCHEMBL1949574 | 0.84 | HSD11B1 (0.53) | HSD11B1NPC1LMNANPSR1 | |
| SCHEMBL2726371 | 0.84 | HSD11B1 (0.53) | HSD11B1NPC1LMNANPSR1 | |
| SCHEMBL1949576 | 0.84 | HSD11B1 (0.53) | HSD11B1NPC1LMNANPSR1 | |
| SCHEMBL1949575 | 0.84 | HSD11B1 (0.53) | HSD11B1NPC1LMNANPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2496559-A1 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE | Vitae Pharmaceuticals, Inc. (US) | 2012-09-12 | — | — | EP | disclosed |
| WO-2011057054-A1 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE | VITAE PHARMACEUTICALS, INC. (US) | 2011-05-12 | — | — | WO | disclosed |