Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | ALDH1A2 | O94788 | 6/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 6/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL1688983 | 0.92 | ALDH1A1 (0.40) | ALDH1A1ALDH1A2ALDH1A3MAPTHTT | |
| SCHEMBL1688901 | 0.89 | ALDH1A1 (0.42) | ALDH1A1ALDH1A2ALDH1A3MAPTHTT | |
| SCHEMBL1688890 | 0.80 | KDM4E (0.45) | ALDH1A1ALDH1A2ALDH1A3MAPTHTT | |
| SCHEMBL5611589 | 0.79 | ALDH1A1 (0.45) | ALDH1A1ALDH1A2ALDH1A3MAPTHTT | |
| SCHEMBL5611595 | 0.78 | GRM1 (0.41) | ALDH1A1ALDH1A2ALDH1A3MAPTHTT | |
| SCHEMBL1688938 | 0.77 | MEN1 (0.39) | ALDH1A1ALDH1A2ALDH1A3MAPTHTT | |
| SCHEMBL1688909 | 0.75 | ALDH1A1 (0.41) | ALDH1A1ALDH1A2ALDH1A3MAPTHTT | |
| SCHEMBL5611874 | 0.75 | ADORA3 (0.41) | ALDH1A1MAPTHTTTDP1TP53 | |
| SCHEMBL1688887 | 0.74 | MAPT (0.36) | ALDH1A1MAPTHTTTDP1TP53 | |
| SCHEMBL1688917 | 0.74 | ALDH1A1 (0.41) | ALDH1A1ALDH1A2ALDH1A3MAPTHTT |
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-1807429-A2 | COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY | IRM, LLC (BM) | 2007-07-18 | — | — | EP | disclosed |
| WO-2006047516-A2 | COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY | IRM LLC (BM) | 2006-05-04 | — | — | WO | disclosed |