Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 4/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.37 |
| ▸ | HTR2C | P28335 | 3/20 | 0.37 |
| ▸ | HTR2B | P41595 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | TNF | P01375 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.32 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL23217064 | 1.00 | DRD2 (0.39) | DRD2HTR2AHTR2CHTR2BKMT2A | |
| SCHEMBL23217227 | 1.00 | DRD2 (0.39) | DRD2HTR2AHTR2CHTR2BKMT2A | |
| SCHEMBL23217065 | 1.00 | DRD2 (0.39) | DRD2HTR2AHTR2CHTR2BKMT2A | |
| SCHEMBL23217246 | 0.92 | HTR2A (0.38) | DRD2HTR2AHTR2CHTR2BKMT2A | |
| SCHEMBL23217250 | 0.92 | HTR2A (0.38) | DRD2HTR2AHTR2CHTR2BKMT2A | |
| SCHEMBL29845066 | 0.88 | PDE4B (0.36) | DRD2HTR2AHTR2CHTR2BKMT2A | |
| SCHEMBL23217507 | 0.83 | HTR2A (0.43) | DRD2HTR2AHTR2CHTR2BKMT2A | |
| SCHEMBL25034567 | 0.83 | HTR2A (0.38) | DRD2HTR2AHTR2CHTR2BPDE4B | |
| SCHEMBL23217492 | 0.82 | HTR2A (0.41) | DRD2HTR2AHTR2CHTR2BKMT2A | |
| SCHEMBL23217562 | 0.79 | HTR2A (0.37) | 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 |