Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 6/20 | 0.61 |
| ▸ | PRKACA | P17612 | 2/20 | 0.54 |
| ▸ | PRKX | P51817 | 2/20 | 0.54 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.54 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.54 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | GSK3A | P49840 | 1/20 | 0.54 |
| ▸ | GSK3B | P49841 | 1/20 | 0.54 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | GRK5 | P34947 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | AURKA | O14965 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8358822 | 0.91 | MMP13 (0.69) | MMP13PRKACAPRKXPRKCQROCK1 | |
| SCHEMBL8348717 | 0.89 | ROCK1 (0.65) | MMP13PRKACAPRKXPRKCQROCK1 | |
| SCHEMBL8348510 | 0.88 | MMP13 (0.57) | MMP13PRKACAPRKXPRKCQROCK1 | |
| SCHEMBL5615864 | 0.86 | MMP13 (0.63) | MMP13PRKACAPRKXPRKCQROCK1 | |
| SCHEMBL4720432 | 0.86 | MMP13 (0.63) | MMP13PRKACAPRKXPRKCQROCK1 | |
| SCHEMBL8350620 | 0.85 | MMP13 (0.62) | MMP13PRKACAPRKXPRKCQROCK1 | |
| SCHEMBL5615621 | 0.84 | MMP13 (0.76) | MMP13PRKACAPRKXPRKCQROCK1 | |
| SCHEMBL8348605 | 0.84 | MMP13 (0.60) | MMP13PRKACAPRKXPRKCQROCK1 | |
| SCHEMBL4715297 | 0.84 | ROCK2 (0.71) | MMP13PRKACAPRKXPRKCQROCK1 | |
| SCHEMBL8338462 | 0.83 | ROCK1 (0.58) | MMP13PRKACAPRKXPRKCQROCK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004060883-A1 | PYRIMIDINE-4,6-DICARBOXYLIC ACID DIAMIDES FOR USE AS SELECTIVE MMP 13 INHIBITORS | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2004-07-22 | — | — | WO | disclosed |