Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 11/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4697973 | 0.90 | CNR1 (0.56) | CNR1ALDH1A1MAPTNPC1RAB9A | |
| SCHEMBL13756754 | 0.82 | CNR1 (0.65) | CNR1ALDH1A1MAPTNPC1RAB9A | |
| Cyclohexane SCHEMBL4696394 | 0.81 | CNR1 (0.55) | CNR1ALDH1A1MAPTNPC1RAB9A | |
| SCHEMBL13756747 | 0.75 | NPC1 (0.60) | CNR1ALDH1A1NPC1TSHRSMN1; SMN2 | |
| SCHEMBL13756748 | 0.74 | CNR1 (0.65) | CNR1ALDH1A1MAPTNPC1RAB9A | |
| SCHEMBL8590981 | 0.74 | GAA (0.53) | ALDH1A1NPC1RAB9ATSHRSMN1; SMN2 | |
| SCHEMBL4695062 | 0.73 | CNR1 (0.65) | CNR1ALDH1A1MAPTTP53GAA | |
| SCHEMBL4460346 | 0.71 | HPGD (0.54) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4469473 | 0.71 | CNR1 (1.00) | CNR1ALDH1A1TSHRRECQL | |
| SCHEMBL4465606 | 0.69 | CNR1 (0.97) | CNR1ALDH1A1TSHRRECQL |
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 |
|---|---|---|---|---|---|---|---|
| EP-1532132-B1 | NOVEL BENZODIOXOLES | HOFFMANN LA ROCHE (CH) | 2008-03-19 | — | — | EP | claimed |