Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SOS2 | Q07890 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | CCNC | P24863 | 1/20 | 0.35 |
| ▸ | CDK8 | P49336 | 1/20 | 0.35 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.35 |
| ▸ | MELK | Q14680 | 1/20 | 0.34 |
| ▸ | MET | P08581 | 4/20 | 0.34 |
| ▸ | HPGDS | O60760 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6448220 | 0.84 | NQO1 (0.43) | NQO1HTTSOS2CYP11B1CYP11B2 | |
| Isoquinoline SCHEMBL28209440 | 0.83 | GRM5 (0.45) | NQO1HTTSOS2NCOA3MELK | |
| SCHEMBL2007578 | 0.80 | PDE3B (0.36) | HTTNCOA3MELKGRM5KCNH2 | |
| SCHEMBL30772995 | 0.80 | HDAC8 (0.37) | HTTNCOA3MELKGRM5KCNH2 | |
| SCHEMBL27416745 | 0.72 | GRM5 (0.53) | NQO1SOS2GRM5KCNH2 | |
| SCHEMBL29359679 | 0.72 | GRM5 (0.53) | NQO1SOS2GRM5KCNH2 | |
| SCHEMBL75226 | 0.72 | GRM5 (0.53) | NQO1SOS2GRM5KCNH2 | |
| SCHEMBL1899820 | 0.72 | NPC1 (0.47) | HTTNCOA3 | |
| Hydrochloric Acid SCHEMBL28328423 | 0.71 | GRM5 (0.52) | NQO1SOS2GRM5KCNH2 | |
| Methane SCHEMBL27560165 | 0.71 | GRM5 (0.52) | NQO1SOS2GRM5KCNH2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2268638-A1 | TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS | Evotec AG (DE) | 2011-01-05 | — | — | EP | disclosed |
| WO-2009121812-A1 | TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS | EVOTEC NEUROSCIENCES GMBH (DE) | 2009-10-08 | — | — | WO | disclosed |
| EP-1739081-A1 | HYDRAZINO-SUBSTITUTED HETEROCYCLIC NITRILE COMPOUNDS AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2007-01-03 | — | — | EP | disclosed |