Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | HTR2B | P41595 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.37 |
| ▸ | GAA | P10253 | 5/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | RUNX1 | Q01196 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CBFB | Q13951 | 1/20 | 0.35 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30121107 | 0.89 | HTR2A (0.38) | HTR2AHTR2CHTR2BALDH1A1GAA | |
| SCHEMBL30120779 | 0.81 | HTR2A (0.45) | HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL23217487 | 0.81 | HTR2A (0.38) | HTR2AHTR2CHTR2BALDH1A1GAA | |
| SCHEMBL30120952 | 0.79 | HTR2A (0.45) | HTR2AHTR2CHTR2BGLADRD2 | |
| SCHEMBL18396809 | 0.79 | STAT3 (0.45) | ALDH1A1POLBKDM4EKMT2ACYP1A2 | |
| SCHEMBL30120868 | 0.78 | HTR2A (0.42) | HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL30120802 | 0.76 | FFAR2 (0.47) | HTR2AHTR2CHTR2B | |
| SCHEMBL2463859 | 0.74 | STAT3 (0.41) | ALDH1A1TSHRPOLBMAPTKMT2A | |
| SCHEMBL29844877 | 0.73 | HTR2A (0.37) | HTR2AHTR2CHTR2BALDH1A1GAA | |
| SCHEMBL2462885 | 0.71 | CYP2C19 (0.43) | ALDH1A1TSHRPOLBKDM4EHPGD |
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-4313313-A1 | ARYL HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D.E. Shaw Research, LLC (US) | 2024-02-07 | — | — | EP | disclosed |
| WO-2022212296-A1 | ARYL HETEROCYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D.E. SHAW RESEARCH, LLC (US) | 2022-10-06 | — | — | WO | disclosed |