Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 3/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9591171 | 1.00 | FAAH (0.47) | FAAHITGB3ITGA2BNPC1LMNA | |
| SCHEMBL9589416 | 0.98 | FAAH (0.47) | FAAHITGB3ITGA2BNPC1LMNA | |
| SCHEMBL9589405 | 0.98 | FAAH (0.47) | FAAHITGB3ITGA2BNPC1LMNA | |
| SCHEMBL9588581 | 0.97 | FAAH (0.46) | FAAHITGB3ITGA2BNPC1LMNA | |
| SCHEMBL9591927 | 0.97 | FAAH (0.46) | FAAHITGB3ITGA2BNPC1LMNA | |
| SCHEMBL9592407 | 0.97 | FAAH (0.46) | FAAHITGB3ITGA2BNPC1LMNA | |
| SCHEMBL9591058 | 0.97 | FAAH (0.46) | FAAHITGB3ITGA2BNPC1LMNA | |
| SCHEMBL9592395 | 0.97 | FAAH (0.46) | FAAHITGB3ITGA2BNPC1LMNA | |
| SCHEMBL9591306 | 0.97 | FAAH (0.46) | FAAHITGB3ITGA2BNPC1LMNA | |
| SCHEMBL9588586 | 0.97 | FAAH (0.46) | FAAHITGB3ITGA2BNPC1LMNA |
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-5238600-A | IBIMETHYLENOXY CONTAINING LIQUID CRYSTAL COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 1993-08-24 | — | — | US | disclosed |