Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 7/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | GFPT1 | Q06210 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | TYR | P14679 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | CTSD | P07339 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4741291 | 0.77 | HCAR2 (0.43) | HCAR2KEAP1NFE2L2ATMMAPT | |
| SCHEMBL26463488 | 0.74 | HCAR2 (0.54) | HCAR2KEAP1NFE2L2CES2CES1 | |
| SCHEMBL1254147 | 0.71 | HCAR2 (0.45) | HCAR2KEAP1NFE2L2CES2CES1 | |
| SCHEMBL1254146 | 0.71 | HCAR2 (0.45) | HCAR2KEAP1NFE2L2CES2CES1 | |
| Dimethyl Maleate SCHEMBL20508358 | 0.71 | HCAR2 (0.77) | HCAR2KEAP1NFE2L2ATMMAPT | |
| SCHEMBL23241411 | 0.68 | HCAR2 (0.50) | HCAR2KEAP1NFE2L2ATMMAPT | |
| SCHEMBL18464101 | 0.68 | HCAR2 (0.62) | HCAR2KEAP1NFE2L2ATMMAPT | |
| Dimethyl Maleate SCHEMBL6417885 | 0.66 | HCAR2 (0.77) | HCAR2KEAP1NFE2L2ATMMAPT | |
| SCHEMBL5283359 | 0.66 | HCAR2 (0.69) | HCAR2KEAP1NFE2L2ATMMAPT | |
| SCHEMBL555675 | 0.66 | HCAR2 (0.69) | HCAR2KEAP1NFE2L2ATMMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2271642-A2 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | Genentech, Inc. (US) | 2011-01-12 | — | — | EP | disclosed |
| WO-2009126863-A2 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | GENENTECH, INC. (US) | 2009-10-15 | — | — | WO | disclosed |
| EP-1789390-A2 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | Genentech, Inc. (US) | 2007-05-30 | — | — | EP | disclosed |
| WO-2006028958-A2 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | GENENTECH, INC. (US) | 2006-03-16 | — | — | WO | disclosed |