Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 7/20 | 0.42 |
| ▸ | PPARG | P37231 | 6/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 5/20 | 0.41 |
| ▸ | CTSK | P43235 | 5/20 | 0.41 |
| ▸ | ACE | P12821 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.41 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 2/20 | 0.40 |
| ▸ | ITGAV | P06756 | 1/20 | 0.39 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5262244 | 0.86 | PPARA (0.43) | AKT1PPARAPPARGIDO1CTSS | |
| SCHEMBL28255277 | 0.86 | ITGB3 (0.41) | AKT1PPARAPPARGIDO1CTSK | |
| SCHEMBL10077573 | 0.84 | AKT1 (0.58) | AKT1PPARAPPARGIDO1CTSS | |
| SCHEMBL31004971 | 0.84 | AKT1 (0.58) | AKT1PPARAPPARGIDO1CTSS | |
| SCHEMBL10350890 | 0.82 | CTSK (0.51) | PPARAPPARGIDO1CTSSCTSK | |
| SCHEMBL8869903 | 0.82 | CTSK (0.51) | PPARAPPARGIDO1CTSSCTSK | |
| SCHEMBL1262439 | 0.81 | CTSS (0.41) | PPARAPPARGIDO1CTSSCTSK | |
| SCHEMBL5973148 | 0.81 | FOLH1 (0.43) | PPARAPPARGIDO1CTSSCTSK | |
| SCHEMBL29695475 | 0.80 | PPARA (0.41) | PPARAPPARGIDO1CTSSCTSK | |
| SCHEMBL31649054 | 0.80 | AKT1 (0.49) | AKT1PPARAPPARGIDO1CTSS |
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-3046563-A1 | SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE | Calitor Sciences, LLC (US) | 2016-07-27 | — | — | EP | disclosed |
| WO-2015042077-A1 | SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE | CALITOR SCIENCES, LLC (US) | 2015-03-26 | — | — | WO | disclosed |