Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.62 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.62 |
| ▸ | TYMS | P04818 | 1/20 | 0.50 |
| ▸ | S1PR2 | O95136 | 8/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 8/20 | 0.45 |
| ▸ | S1PR3 | Q99500 | 8/20 | 0.45 |
| ▸ | S1PR4 | O95977 | 6/20 | 0.45 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.45 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Butane SCHEMBL4878526 | 0.98 | LPAR3 (0.60) | LPAR3LPAR2TYMSS1PR2S1PR1 | |
| SCHEMBL4144991 | 0.90 | — | — | |
| SCHEMBL4533342 | 0.87 | TYMS (0.58) | LPAR3LPAR2TYMSS1PR2S1PR1 | |
| SCHEMBL4517898 | 0.87 | TYMS (0.58) | LPAR3LPAR2TYMSS1PR2S1PR1 | |
| SCHEMBL2817555 | 0.87 | TYMS (0.58) | LPAR3LPAR2TYMSS1PR2S1PR1 | |
| SCHEMBL4539408 | 0.87 | TYMS (0.58) | LPAR3LPAR2TYMSS1PR2S1PR1 | |
| SCHEMBL4527382 | 0.87 | TYMS (0.58) | LPAR3LPAR2TYMSS1PR2S1PR1 | |
| SCHEMBL4529476 | 0.87 | TYMS (0.58) | LPAR3LPAR2TYMSS1PR2S1PR1 | |
| SCHEMBL4526564 | 0.87 | TYMS (0.58) | LPAR3LPAR2TYMSS1PR2S1PR1 | |
| SCHEMBL4534184 | 0.87 | TYMS (0.58) | LPAR3LPAR2TYMSS1PR2S1PR1 |
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-1904479-A2 | NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS | Sanofi-Aventis (FR) | 2008-04-02 | — | — | EP | disclosed |
| WO-2007006926-A2 | NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS | SANOFI-AVENTIS (FR) | 2007-01-18 | — | — | WO | disclosed |