Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MPL | P40238 | 2/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24934202 | 0.86 | ALOX15 (0.35) | MPLCNR1CNR2 | |
| SCHEMBL24934201 | 0.82 | BACE1 (0.33) | MPLCNR1CNR2 | |
| SCHEMBL24934167 | 0.77 | CNR1 (0.33) | CNR1CNR2 | |
| SCHEMBL24934076 | 0.77 | CYP1A2 (0.31) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL24934223 | 0.66 | ABCB11 (0.40) | — | |
| SCHEMBL24934146 | 0.65 | MAPT (0.34) | — | |
| SCHEMBL24934077 | 0.64 | ALOX15 (0.37) | — | |
| SCHEMBL24934216 | 0.63 | CHRNB2 (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL24934220 | 0.63 | CNR1 (0.31) | CNR1CNR2 | |
| SCHEMBL29218178 | 0.61 | ROCK2 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023009475-A1 | ROCK2 INHIBITORS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2023-02-02 | — | — | WO | disclosed |