Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24636807 | 1.00 | ALDH1A1 (0.43) | ALDH1A1PKMPOLBHTTTAS1R3 | |
| SCHEMBL15832432 | 0.76 | TSHR (0.46) | ALDH1A1HTTKDM4ELMNATSHR | |
| SCHEMBL2584740 | 0.74 | LMNA (0.53) | ALDH1A1POLBHTTLMNAMEN1 | |
| SCHEMBL3625341 | 0.74 | LMNA (0.53) | ALDH1A1POLBHTTLMNAMEN1 | |
| SCHEMBL7169265 | 0.71 | RAB9A (0.51) | ALDH1A1PKMKDM4ELMNAMEN1 | |
| SCHEMBL20835448 | 0.71 | RAB9A (0.51) | ALDH1A1PKMKDM4ELMNAMEN1 | |
| SCHEMBL2586557 | 0.71 | TRPM8 (0.46) | ALDH1A1KDM4ELMNAMEN1KMT2A | |
| SCHEMBL30541390 | 0.71 | KMT2A (0.48) | ALDH1A1PKMPOLBHTTKDM4E | |
| SCHEMBL24322368 | 0.71 | KMT2A (0.48) | ALDH1A1PKMPOLBHTTKDM4E | |
| SCHEMBL25695247 | 0.71 | KMT2A (0.48) | ALDH1A1PKMPOLBHTTKDM4E |
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 |
| CN-117337280-A | Aryl heterocyclic compounds as Kv1.3 potassium SHAKER channel blockers | D·E·萧尔研究有限责任公司 | 2024-01-02 | — | — | CN | 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 |