Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.57 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MMP13 | P45452 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | BCL3 | P20749 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5615595 | 0.95 | CYP2C9 (0.56) | CYP2C9CYP2C19ROCK2ROCK1TSHR | |
| SCHEMBL4716344 | 0.94 | CYP2C9 (0.69) | CYP2C9CYP2C19ROCK2ROCK1ALDH1A1 | |
| SCHEMBL4719548 | 0.92 | CACNA1G (0.56) | CYP2C9CYP2C19ROCK2ROCK1ALDH1A1 | |
| SCHEMBL4720513 | 0.86 | L3MBTL1 (0.53) | CYP2C9ROCK2ROCK1TSHRALDH1A1 | |
| SCHEMBL14602318 | 0.84 | MMP13 (0.59) | CYP2C9ROCK2ROCK1ALDH1A1LMNA | |
| SCHEMBL5615648 | 0.83 | ALDH1A1 (0.53) | ALDH1A1TP53KDM4EPOLBALOX15 | |
| SCHEMBL5616146 | 0.83 | MMP13 (0.63) | CD274ALDH1A1POLBMMP13SMN1; SMN2 | |
| SCHEMBL4717829 | 0.82 | CD274 (0.57) | CD274ALDH1A1MMP13SMN1; SMN2 | |
| SCHEMBL4718384 | 0.81 | L3MBTL1 (0.60) | CYP2C9CYP2C19ROCK2ALDH1A1TP53 | |
| SCHEMBL4720613 | 0.81 | ROCK1 (0.57) | CYP2C9ROCK2ROCK1LMNAMMP13 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1560815-B1 | NOVEL PYRIMIDINE-4,6-DICARBOXAMIDES FOR THE SELECTIVE INHIBITION OF COLLAGENASES | SANOFI AVENTIS DEUTSCHLAND (DE) | 2008-03-12 | — | — | EP | claimed |
| US-7166609-B2 | Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2007-01-23 | — | — | US | disclosed |
| US-7166609-B2 | Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2007-01-23 | — | — | US | disclosed |