Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 5/20 | 0.43 |
| ▸ | MLNR | O43193 | 2/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 3/20 | 0.36 |
| ▸ | DRD3 | P35462 | 3/20 | 0.36 |
| ▸ | RORC | P51449 | 3/20 | 0.36 |
| ▸ | ACACB | O00763 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | HTR6 | P50406 | 2/20 | 0.35 |
| ▸ | KCNA1 | Q09470 | 2/20 | 0.35 |
| ▸ | KCNAB1 | Q14722 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19377186 | 0.93 | ROCK2 (0.43) | ROCK2MLNRMEN1USP2GAA | |
| SCHEMBL19377185 | 0.93 | ROCK2 (0.43) | ROCK2MLNRMEN1USP2GAA | |
| SCHEMBL19377340 | 0.93 | ROCK2 (0.43) | ROCK2MLNRMEN1USP2GAA | |
| SCHEMBL24800636 | 0.92 | ROCK2 (0.44) | ROCK2MLNRIDH1MEN1USP2 | |
| SCHEMBL24800756 | 0.91 | ROCK2 (0.43) | ROCK2MLNRIDH1MEN1USP2 | |
| SCHEMBL19377308 | 0.90 | ROCK2 (0.43) | ROCK2MLNRMEN1USP2GAA | |
| SCHEMBL19406930 | 0.89 | ABCB1 (0.44) | MEN1MAPTKMT2AACACBCYP2D6 | |
| SCHEMBL24799938 | 0.88 | ROCK2 (0.38) | ROCK2MLNRIDH1MEN1USP2 | |
| SCHEMBL24800663 | 0.88 | THRB (0.39) | ROCK2KMT2ADRD2DRD3HTR2A | |
| SCHEMBL24799961 | 0.87 | ROCK2 (0.41) | ROCK2IDH1MEN1USP2GAA |
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-3390355-B1 | BENZENESULFONYL-ASYMMETRIC UREAS AND MEDICAL USES THEREOF | HELSINN HEALTHCARE SA (CH) | 2022-12-28 | — | — | EP | disclosed |