Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 5/20 | 0.41 |
| ▸ | CTSS | P25774 | 5/20 | 0.41 |
| ▸ | CTSB | P07858 | 4/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | KYNU | Q16719 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 6/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.39 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.39 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL2794568 | 0.92 | CTSS (0.43) | CTSLCTSSCTSBATMALDH1A1 | |
| SCHEMBL264163 | 0.83 | CTSL (0.40) | CTSLCTSSCTSBATMALDH1A1 | |
| SCHEMBL2793720 | 0.83 | CTSS (0.41) | CTSLCTSSCTSBATMSYK | |
| SCHEMBL263531 | 0.82 | SYK (0.47) | CTSLCTSSCTSBATMALDH1A1 | |
| SCHEMBL262927 | 0.82 | SYK (0.47) | CTSLCTSSCTSBATMALDH1A1 | |
| SCHEMBL15924777 | 0.82 | KYNU (0.53) | CTSLCTSSCTSBATMALDH1A1 | |
| SCHEMBL15924778 | 0.82 | KYNU (0.53) | CTSLCTSSCTSBATMALDH1A1 | |
| SCHEMBL5724195 | 0.82 | SYK (0.52) | CTSLCTSSCTSBATMALDH1A1 | |
| SCHEMBL23455702 | 0.81 | PPARA (0.51) | CTSLCTSSCTSBATMALDH1A1 | |
| SCHEMBL5724014 | 0.81 | ATM (0.50) | CTSLCTSSCTSBATMSYK |
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-8133908-B2 | Heteroaryl derivatives of N-{[(1S,4S,6S)-3-(2-pyridinylcarbonyl)-3-azabicyclo[4.1.0]hept-4-yl]methyl}-2-amine | GLAXO GROUP LIMITED (GB) | 2012-03-13 | — | — | US | disclosed |
| EP-2370427-A1 | N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL]METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF | Glaxo Group Limited (GB) | 2011-10-05 | — | — | EP | disclosed |