Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 14/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.35 |
| ▸ | NT5E | P21589 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14181001 | 0.95 | CNR1 (0.60) | CNR1CYP3A4RIPK3CYP2C19 | |
| SCHEMBL4802818 | 0.88 | CNR1 (0.61) | CNR1CYP3A4KDM4EALDH1A1LMNA | |
| SCHEMBL4803698 | 0.83 | CNR1 (0.69) | CNR1CYP3A4RIPK3CYP2C19CYP11B2 | |
| SCHEMBL14180936 | 0.83 | CNR1 (0.57) | CNR1CYP3A4KDM4EALDH1A1LMNA | |
| SCHEMBL4805900 | 0.82 | CNR1 (0.62) | CNR1CYP3A4LMNACYP2C19 | |
| SCHEMBL14180898 | 0.82 | CNR1 (0.58) | CNR1CYP3A4KDM4EALDH1A1LMNA | |
| SCHEMBL14180933 | 0.82 | CNR1 (0.64) | CNR1CYP3A4KDM4ECYP2C19 | |
| SCHEMBL14180823 | 0.82 | CNR1 (0.54) | CNR1CYP3A4KDM4E | |
| SCHEMBL14181064 | 0.81 | CNR1 (0.66) | CNR1CYP3A4CYP2C19 | |
| SCHEMBL4800125 | 0.81 | CNR1 (0.70) | CNR1CYP3A4KDM4EALDH1A1LMNA |
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-1697370-B1 | AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2007-04-25 | — | — | EP | disclosed |