Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIA1 | P42261 | 3/20 | 0.44 |
| ▸ | CTSL | P07711 | 2/20 | 0.42 |
| ▸ | CTSS | P25774 | 2/20 | 0.42 |
| ▸ | CTSK | P43235 | 2/20 | 0.42 |
| ▸ | ACACB | O00763 | 2/20 | 0.39 |
| ▸ | ACACA | Q13085 | 1/20 | 0.39 |
| ▸ | NPY5R | Q15761 | 5/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11935821 | 0.99 | GRIA1 (0.45) | GRIA1CTSLCTSSCTSKACACB | |
| SCHEMBL13565144 | 0.89 | CTSL (0.44) | GRIA1CTSLCTSSCTSKACACB | |
| SCHEMBL13565964 | 0.87 | HDAC4 (0.41) | GRIA1NPY5RPTGS1PTGS2HRH1 | |
| SCHEMBL13565272 | 0.85 | GRIA1 (0.41) | GRIA1NPY5RPTGS1PTGS2HRH1 | |
| SCHEMBL13564981 | 0.84 | GRIA1 (0.40) | GRIA1CTSLCTSSCTSKACACB | |
| SCHEMBL13565527 | 0.84 | CTSL (0.38) | CTSLCTSSCTSKACACBACACA | |
| SCHEMBL10115453 | 0.84 | ALDH1A1 (0.49) | HRH3ALDH1A1RORC | |
| SCHEMBL11935850 | 0.83 | GRIA1 (0.41) | GRIA1CTSLCTSSCTSKNPY5R | |
| SCHEMBL11935682 | 0.82 | ACACB (0.38) | CTSLCTSSCTSKACACBACACA | |
| SCHEMBL10115491 | 0.82 | ALDH1A1 (0.47) | ACACBACACAHRH3ALDH1A1RORC |
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-9139518-B2 | Amine derivative having NPY Y5 receptor antagonistic activity | SHIONOGI & CO., LTD. (JP) | 2015-09-22 | — | — | US | disclosed |
| US-8299265-B2 | Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof | SHIONOGI & CO., LTD. (JP) | 2012-10-30 | — | — | US | disclosed |