Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 5/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7400051 | 0.87 | CA2 (0.46) | SMYD3CA2CA1EPHX1TP53 | |
| SCHEMBL4602869 | 0.85 | CA2 (0.53) | CA2CA1EPHX1TP53 | |
| SCHEMBL4766616 | 0.83 | SMYD3 (0.43) | SMYD3CA2CA1EPHX1TP53 | |
| SCHEMBL3351207 | 0.80 | CA1 (0.33) | CA1 | |
| SCHEMBL1620572 | 0.79 | CHRM1 (0.37) | SMYD3CA2TP53 | |
| Hydrochloric Acid SCHEMBL3349160 | 0.78 | CA1 (0.32) | CA1 | |
| Hydrochloric Acid SCHEMBL988935 | 0.76 | CA2 (0.33) | CA2CA1TP53 | |
| SCHEMBL1621180 | 0.74 | ALDH1A1 (0.37) | SMYD3CA2CA1TP53 | |
| SCHEMBL4005014 | 0.70 | — | — | |
| SCHEMBL8778783 | 0.70 | — | — |
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-2074084-A1 | COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | Boehringer Ingelheim International GmbH (DE) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008039645-A1 | COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-04-03 | — | — | WO | disclosed |