Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MARS1 | P56192 | 3/20 | 0.44 |
| ▸ | CRHR1 | P34998 | 5/20 | 0.42 |
| ▸ | CNR1 | P21554 | 6/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | KMO | O15229 | 1/20 | 0.38 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.37 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3364716 | 0.84 | CNR1 (0.46) | CRHR1CNR1 | |
| SCHEMBL3364790 | 0.82 | PARP1 (0.50) | MARS1CRHR1CNR1PARP1 | |
| SCHEMBL3364024 | 0.82 | CRHR1 (0.49) | CRHR1 | |
| Trifluoroacetic Acid SCHEMBL3364681 | 0.81 | PARP1 (0.50) | MARS1CRHR1CNR1PARP1 | |
| SCHEMBL3361832 | 0.75 | CRHR1 (0.52) | CRHR1 | |
| Hydrochloric Acid SCHEMBL3364528 | 0.74 | CRHR1 (0.51) | CRHR1 | |
| SCHEMBL23320986 | 0.72 | EPHX2 (0.47) | PARP1 | |
| SCHEMBL12985765 | 0.72 | PARP1 (0.45) | PARP1 | |
| SCHEMBL4662108 | 0.68 | CRHR1 (0.50) | CRHR1 | |
| SCHEMBL3363050 | 0.67 | MARS1 (0.50) | MARS1CRHR1CNR1 |
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-1656353-B1 | GABANERGIC MODULATORS | HOFFMANN LA ROCHE (CH) | 2010-01-27 | — | — | EP | claimed |