Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.37 |
| ▸ | HTR2A | P28223 | 4/20 | 0.35 |
| ▸ | HTR2C | P28335 | 4/20 | 0.35 |
| ▸ | HTR2B | P41595 | 4/20 | 0.35 |
| ▸ | RBP4 | P02753 | 1/20 | 0.33 |
| ▸ | GPR6 | P46095 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL23217047 | 1.00 | DRD2 (0.37) | DRD2HTR2AHTR2CHTR2BRBP4 | |
| Trifluoroacetic Acid SCHEMBL29845129 | 0.91 | DRD2 (0.35) | DRD2HTR2AHTR2CHTR2BKMT2A | |
| SCHEMBL23217451 | 0.87 | HTR2A (0.40) | DRD2HTR2AHTR2CHTR2BKMT2A | |
| SCHEMBL23217492 | 0.85 | HTR2A (0.41) | DRD2HTR2AHTR2CHTR2BKMT2A | |
| SCHEMBL29845082 | 0.85 | HTR2A (0.38) | DRD2HTR2AHTR2CHTR2BKMT2A | |
| SCHEMBL23227262 | 0.85 | HTR2A (0.38) | DRD2HTR2AHTR2CHTR2BKMT2A | |
| SCHEMBL23227263 | 0.85 | HTR2A (0.38) | DRD2HTR2AHTR2CHTR2BKMT2A | |
| SCHEMBL23217507 | 0.80 | HTR2A (0.43) | DRD2HTR2AHTR2CHTR2BKMT2A | |
| SCHEMBL23227266 | 0.79 | HTR2A (0.39) | DRD2HTR2AHTR2CHTR2B | |
| SCHEMBL23217065 | 0.78 | DRD2 (0.39) | DRD2HTR2AHTR2CHTR2BKMT2A |
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-4041405-A1 | ARYL HETEROBICYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D.E. Shaw Research, LLC (US) | 2022-08-17 | — | — | EP | disclosed |
| WO-2021071832-A1 | ARYL HETEROBICYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D.E. SHAW RESEARCH, LLC (US) | 2021-04-15 | — | — | WO | disclosed |