Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR2 | O15552 | 3/20 | 0.35 |
| ▸ | HTR2C | P28335 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | G6PD | P11413 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.33 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
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 | 1.00 | FFAR2 (0.35) | FFAR2HTR2CKDM4ES1PR4HSP90AA1 | |
| SCHEMBL23217738 | 0.81 | FFAR2 (0.38) | FFAR2HTR2CMCL1DRD2MALT1 | |
| SCHEMBL23227363 | 0.80 | PDE4B (0.36) | HTR2CKDM4ES1PR4HSP90AA1MAPT | |
| SCHEMBL29663872 | 0.80 | PDE4B (0.36) | HTR2CKDM4ES1PR4HSP90AA1MAPT | |
| SCHEMBL23217344 | 0.71 | HTR2C (0.35) | FFAR2HTR2CKDM4ES1PR4HSP90AA1 | |
| SCHEMBL29219177 | 0.71 | HTR2C (0.37) | HTR2CKDM4ES1PR4HSP90AA1MAPT | |
| SCHEMBL23214520 | 0.70 | HTR2A (0.41) | FFAR2HTR2CMAPTDRD2HTR2A | |
| SCHEMBL31633632 | 0.69 | ALDH1A1 (0.43) | HTR2CKDM4EMAPTMAPK1HTT | |
| SCHEMBL29219312 | 0.69 | KDM4E (0.44) | HTR2CKDM4ES1PR4HSP90AA1MAPT | |
| SCHEMBL23452332 | 0.68 | ITGB1 (0.40) | FFAR2RAB9AALDH1A1LMNAAGTR2 |
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-4041408-A1 | ARYL HETEROBICYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D.E. Shaw Research, LLC (US) | 2022-08-17 | — | — | EP | disclosed |
| WO-2021071803-A1 | ARYL HETEROBICYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D.E. SHAW RESEARCH, LLC (US) | 2021-04-15 | — | — | WO | disclosed |