Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 2/20 | 0.53 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.50 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.49 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.49 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.44 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.44 |
| ▸ | CD74 | P04233 | 1/20 | 0.44 |
| ▸ | MIF | P14174 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL670624 | 0.85 | CYP2C9 (0.55) | IDO1MAPTL3MBTL1MEN1ALDH1A1 | |
| SCHEMBL22346843 | 0.82 | LOXL2 (0.52) | LOXL2CYP4F2CYP4A11ABHD6ROCK2 | |
| SCHEMBL1512308 | 0.82 | CHRM3 (0.72) | CHRM3LOXL2CYP4F2CYP4A11MEN1 | |
| SCHEMBL27554554 | 0.80 | PRSS1 (0.47) | LOXL2 | |
| SCHEMBL671044 | 0.79 | LOXL2 (0.48) | LOXL2CYP4F2CYP4A11ABHD6ROCK2 | |
| SCHEMBL675320 | 0.78 | LOXL2 (0.50) | LOXL2CYP4F2CYP4A11ABHD6ROCK2 | |
| SCHEMBL3154100 | 0.78 | POLB (0.67) | CHRM3MAPTMEN1ALDH1A1KMT2A | |
| SCHEMBL31773 | 0.78 | LOXL2 (0.52) | LOXL2CYP4F2CYP4A11ABHD6ROCK2 | |
| Hydrochloric Acid SCHEMBL6417883 | 0.77 | SLC6A2 (0.44) | CHRM3MAPTMIFMEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL1018573 | 0.75 | CHRM3 (0.63) | CHRM3LOXL2MEN1ALDH1A1KMT2A |
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-2012024179-A1 | SUBSTITUTED AMIDE DERIVATIVES AS DGAT-1 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-02-23 | — | — | WO | disclosed |