Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARD | Q03181 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.35 |
| ▸ | PLK1 | P53350 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13566057 | 0.90 | ALDH1A1 (0.39) | CA1CA9CA12CA2ALDH1A1 | |
| SCHEMBL13565279 | 0.90 | ALDH1A1 (0.48) | CA1CA9CA12CA2ALDH1A1 | |
| SCHEMBL13565269 | 0.88 | ALDH1A1 (0.43) | CA1CA9CA12CA2ALDH1A1 | |
| SCHEMBL13565379 | 0.87 | PPARA (0.44) | CA1CA9CA12CA2ADRA2A | |
| SCHEMBL13565341 | 0.86 | MAPT (0.41) | CA1CA9CA12CA2ALDH1A1 | |
| SCHEMBL11936051 | 0.83 | ALDH1A1 (0.44) | CA1CA9CA12CA2ADRA2A | |
| SCHEMBL10116461 | 0.82 | RAB9A (0.49) | CA1CA9CA12CA2ALDH1A1 | |
| SCHEMBL17090234 | 0.82 | APP (0.44) | CA1CA2ALDH1A1POLBHPGD | |
| SCHEMBL11935291 | 0.81 | FFAR1 (0.53) | CA1CA12CA2ADRA2AFFAR1 | |
| SCHEMBL13565962 | 0.81 | CA9 (0.42) | CA1CA9CA12CA2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9139518-B2 | Amine derivative having NPY Y5 receptor antagonistic activity | SHIONOGI & CO., LTD. (JP) | 2015-09-22 | — | — | US | disclosed |