Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | LIPE | Q05469 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8006261 | 0.87 | MMP9 (0.36) | MMP9LMNAFFAR1ALDH1A1GAA | |
| SCHEMBL16472180 | 0.83 | USP2 (0.40) | LMNAALDH1A1MAPK14MAPTHPGD | |
| SCHEMBL14748412 | 0.78 | PDE4B (0.41) | GAAMAPTOPRM1OPRD1OPRK1 | |
| SCHEMBL8006270 | 0.77 | KMT2A (0.41) | MMP9ALDH1A1HPGDTSHR | |
| SCHEMBL16870235 | 0.76 | PPARD (0.47) | ROCK2LMNAALDH1A1GAAGFER | |
| SCHEMBL8007014 | 0.75 | MMP9 (0.37) | ROCK2ROCK1MMP9LMNAALDH1A1 | |
| SCHEMBL8008270 | 0.74 | LMNA (0.54) | LMNAALDH1A1MAPTTSHRLIPE | |
| SCHEMBL1039522 | 0.72 | HTT (0.51) | LMNAALDH1A1GAAGFERHPGD | |
| SCHEMBL4843750 | 0.69 | ALDH1A1 (0.49) | LMNAALDH1A1GAAGFER | |
| SCHEMBL7997146 | 0.69 | PTGDR2 (0.42) | FFAR1PPARDTSHR |
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-2009111676-A2 | BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS | ANACOR PHARMACEUTICALS, INC (US) | 2009-09-11 | — | — | WO | disclosed |