Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR2 | O15552 | 11/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | TPMT | P51580 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL23214510 | 0.81 | FFAR2 (0.35) | FFAR2MCL1DRD2MALT1HTR2C | |
| SCHEMBL23214614 | 0.81 | FFAR2 (0.35) | FFAR2MCL1DRD2MALT1HTR2C | |
| SCHEMBL28827800 | 0.78 | PDE4B (0.40) | DRD2MALT1 | |
| SCHEMBL23217344 | 0.73 | HTR2C (0.35) | FFAR2MCL1DRD2HTR2C | |
| SCHEMBL29663872 | 0.68 | PDE4B (0.36) | MCL1MALT1HTR2C | |
| SCHEMBL23227363 | 0.68 | PDE4B (0.36) | MCL1MALT1HTR2C | |
| SCHEMBL30120802 | 0.68 | FFAR2 (0.47) | FFAR2HTR2C | |
| SCHEMBL23214520 | 0.67 | HTR2A (0.41) | FFAR2DRD2HTR2C | |
| SCHEMBL23217172 | 0.67 | HTR2C (0.44) | FFAR2DRD2HTR2C | |
| SCHEMBL23217480 | 0.67 | HTR2C (0.44) | FFAR2DRD2HTR2C |
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 |