Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | NPY2R | P49146 | 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 | |
|---|---|---|---|---|
| SCHEMBL28423485 | 1.00 | GAA (0.43) | GAANOS3NOS2MAPTCHRM1 | |
| SCHEMBL28429967 | 1.00 | GAA (0.43) | GAANOS3NOS2MAPTCHRM1 | |
| SCHEMBL22680079 | 0.84 | GAA (0.43) | GAANOS3NOS2MAPTALDH1A1 | |
| SCHEMBL22680073 | 0.84 | GAA (0.43) | GAANOS3NOS2MAPTALDH1A1 | |
| SCHEMBL22680078 | 0.84 | GAA (0.43) | GAANOS3NOS2MAPTALDH1A1 | |
| SCHEMBL20565156 | 0.83 | SMN1; SMN2 (0.37) | ALDH1A1NPC1RAB9ASMN1; SMN2NPY2R | |
| SCHEMBL2319139 | 0.81 | GAA (0.41) | GAANOS3NOS2MAPTCHRM1 | |
| SCHEMBL2862448 | 0.81 | GAA (0.45) | GAANOS3NOS2MAPTCHRM1 | |
| SCHEMBL19995830 | 0.78 | HPGD (0.48) | GAAMAPTL3MBTL1THRBATM | |
| SCHEMBL18979956 | 0.78 | GAA (0.37) | GAAMAPTCHRM1L3MBTL1THRB |
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 3 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 |
| CN-111417635-A | Pyrazolopyrimidines having activity against Respiratory Syncytial Virus (RSV) | 爱尔兰詹森科学公司 | 2020-07-14 | — | — | CN | disclosed |