Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ESRRG | P62508 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3797749 | 0.84 | NPC1 (0.49) | RAB9ANPC1ALDH1A1MAPTGAA | |
| SCHEMBL5258641 | 0.84 | NPC1 (0.49) | RAB9ANPC1ALDH1A1MAPTGAA | |
| SCHEMBL3670192 | 0.84 | NPC1 (0.49) | RAB9ANPC1ALDH1A1MAPTGAA | |
| SCHEMBL10282363 | 0.83 | EPHX2 (0.39) | EPHX2RAB9ANPC1ALDH1A1MAPT | |
| SCHEMBL5510105 | 0.81 | AAK1 (0.37) | RAB9ANPC1ALDH1A1GAAMEN1 | |
| SCHEMBL3953935 | 0.80 | DHODH (0.38) | RAB9ANPC1ALDH1A1GAAMEN1 | |
| SCHEMBL5503662 | 0.79 | ALDH1A1 (0.46) | RAB9ANPC1ALDH1A1MAPTHPGD | |
| SCHEMBL18053930 | 0.78 | PTPRB (0.38) | EPHX2RAB9ANPC1ALDH1A1MAPT | |
| SCHEMBL18053708 | 0.78 | PTPRB (0.38) | EPHX2RAB9ANPC1ALDH1A1MAPT | |
| SCHEMBL18037868 | 0.78 | PTPRB (0.38) | EPHX2RAB9ANPC1ALDH1A1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1861357-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | Amorepacific Corporation (KR) | 2007-12-05 | — | — | EP | disclosed |
| WO-2006101318-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2006-09-28 | — | — | WO | disclosed |