Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 11/20 | 0.52 |
| ▸ | CTSL | P07711 | 2/20 | 0.50 |
| ▸ | CTSS | P25774 | 2/20 | 0.50 |
| ▸ | SIRT1 | Q96EB6 | 8/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | SIRT3 | Q9NTG7 | 7/20 | 0.48 |
| ▸ | CTSK | P43235 | 5/20 | 0.47 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4452037 | 0.88 | CASP1 (0.57) | CTSLCTSSALDH1A1CYP3A4TSHR | |
| SCHEMBL6254290 | 0.88 | CASP1 (0.57) | CTSLCTSSALDH1A1CYP3A4TSHR | |
| SCHEMBL7742011 | 0.86 | CTSL (0.55) | SIRT2CTSLCTSSSIRT1ALDH1A1 | |
| SCHEMBL7742013 | 0.86 | CTSL (0.55) | SIRT2CTSLCTSSSIRT1ALDH1A1 | |
| SCHEMBL2026644 | 0.85 | SIRT2 (0.52) | SIRT2CTSLCTSSSIRT1ALDH1A1 | |
| SCHEMBL15569565 | 0.84 | CTSS (0.55) | SIRT2CTSLCTSSSIRT1ALDH1A1 | |
| SCHEMBL5550159 | 0.84 | CTSS (0.55) | SIRT2CTSLCTSSSIRT1ALDH1A1 | |
| SCHEMBL7761583 | 0.84 | CTSS (0.55) | SIRT2CTSLCTSSSIRT1ALDH1A1 | |
| SCHEMBL6471138 | 0.84 | CTSL (0.53) | SIRT2CTSLCTSSSIRT1ALDH1A1 | |
| SCHEMBL27617576 | 0.83 | CTSS (0.54) | SIRT2CTSLCTSSSIRT1ALDH1A1 |
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-2513054-A1 | BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 | Janssen Pharmaceutica, N.V. (BE) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011075634-A1 | BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 | JANSSEN PHARMACEUTICA NV (BE) | 2011-06-23 | — | — | WO | disclosed |