Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | CES2 | O00748 | 4/20 | 0.48 |
| ▸ | CES1 | P23141 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL10801285 | 1.00 | ALDH1A1 (0.52) | ALDH1A1CES2CES1LMNATSHR | |
| P-Xylene SCHEMBL11795146 | 0.89 | ALDH1A1 (0.44) | ALDH1A1CES2CES1LMNAACHE | |
| Toluene SCHEMBL28863041 | 0.86 | CES2 (0.53) | ALDH1A1CES2CES1LMNATSHR | |
| Toluene SCHEMBL3860952 | 0.85 | HDAC3 (0.54) | ALDH1A1CES2CES1LMNATSHR | |
| Octanol SCHEMBL19747551 | 0.85 | CES2 (0.44) | ALDH1A1CES2CES1LMNATSHR | |
| Toluene SCHEMBL585499 | 0.84 | HDAC3 (0.59) | ALDH1A1CES2CES1LMNATSHR | |
| Toluene SCHEMBL27517566 | 0.84 | ALDH1A1 (0.54) | ALDH1A1CES2CES1LMNATSHR | |
| O-Xylene SCHEMBL11795150 | 0.84 | ALDH1A1 (0.48) | ALDH1A1CES2CES1LMNATSHR | |
| Toluene SCHEMBL4119716 | 0.84 | CES2 (0.50) | ALDH1A1CES2CES1LMNATSHR | |
| Toluene SCHEMBL9639878 | 0.84 | LMNA (0.55) | ALDH1A1CES2CES1LMNATSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-8088924-B2 | Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor | SHIONOGI & CO., LTD. (JP) | 2012-01-03 | — | — | US | disclosed |