Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 3/20 | 0.34 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.34 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.34 |
| ▸ | STS | P08842 | 2/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CYBB | P04839 | 1/20 | 0.33 |
| ▸ | NOX5 | Q96PH1 | 1/20 | 0.33 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.33 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL24690641 | 1.00 | MCHR1 (0.40) | MCHR1KDM4EESR2MAPTTHRB | |
| SCHEMBL46621 | 0.82 | TRPV1 (0.43) | MCHR1KDM4EMAPTPRMT5WDR77 | |
| SCHEMBL30022377 | 0.74 | MEN1 (0.37) | MCHR1MEN1KMT2AALDH1A1 | |
| SCHEMBL24690448 | 0.74 | MEN1 (0.37) | MCHR1MEN1KMT2AALDH1A1 | |
| SCHEMBL6483420 | 0.74 | BAZ2B (0.45) | KDM4EESR2MAPTTHRBCNR1 | |
| SCHEMBL8259856 | 0.67 | NR1H2 (0.44) | ESR2CNR1STSMEN1KMT2A | |
| SCHEMBL24690631 | 0.67 | TRPV1 (0.45) | ALDH1A1RAB9A | |
| SCHEMBL30022075 | 0.67 | TRPV1 (0.45) | ALDH1A1RAB9A | |
| SCHEMBL950867 | 0.66 | NR1H2 (0.44) | KDM4EESR2MAPTTHRBMEN1 | |
| SCHEMBL21597812 | 0.66 | NR1H2 (0.44) | KDM4EESR2MAPTTHRBMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022251561-A2 | SPIROINDOLINONE COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D.E. SHAW RESEARCH, LLC (US) | 2022-12-01 | — | — | WO | disclosed |