Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 19/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL2226594 | 0.89 | HTR6 (0.46) | HTR6KCNH2KDM4EALDH1A1GAA | |
| SCHEMBL171817 | 0.83 | HTR6 (0.58) | HTR6KCNH2KDM4E | |
| SCHEMBL30681216 | 0.83 | HTR6 (0.58) | HTR6KCNH2KDM4E | |
| Hydrochloric Acid SCHEMBL7140687 | 0.81 | HTR6 (0.59) | HTR6KCNH2KDM4E | |
| Isobutyraldehyde SCHEMBL2226850 | 0.80 | HTR6 (0.51) | HTR6KCNH2KDM4E | |
| Pentanal SCHEMBL2225046 | 0.80 | HTR6 (0.46) | HTR6KCNH2KDM4E | |
| Cyclopentanecarbaldehyde SCHEMBL2229086 | 0.77 | HTR6 (0.48) | HTR6KCNH2KDM4E | |
| SCHEMBL2224777 | 0.75 | HTR6 (0.51) | HTR6KCNH2 | |
| Benzenethiol SCHEMBL2226315 | 0.75 | HTR6 (0.54) | HTR6KCNH2KDM4E | |
| SCHEMBL30281730 | 0.74 | HTR6 (0.53) | HTR6KCNH2KDM4EALDH1A1HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011087712-A2 | TRICYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | CEPHALON, INC. (US) | 2011-07-21 | — | — | WO | disclosed |