Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.40 |
| ▸ | COMT | P21964 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | G6PD | P11413 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CCR6 | P51684 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23239697 | 0.92 | RAPGEF4 (0.40) | RAPGEF4COMTMAPTHPGDHSD17B10 | |
| SCHEMBL26736880 | 0.82 | ALOX15 (0.34) | MAPTHPGDHSD17B10ALDH1A1KDM4E | |
| SCHEMBL13568683 | 0.82 | RAPGEF4 (0.44) | RAPGEF4MAPTALDH1A1HTR3EHTR3B | |
| SCHEMBL23959962 | 0.81 | ALDH1A1 (0.46) | MAPTHPGDHSD17B10ALDH1A1KDM4E | |
| SCHEMBL17864634 | 0.80 | ALDH1A1 (0.48) | MAPTHPGDHSD17B10ALDH1A1KDM4E | |
| SCHEMBL12572591 | 0.80 | ALOX15 (0.48) | MAPTHPGDHSD17B10ALDH1A1KDM4E | |
| SCHEMBL9244738 | 0.80 | RAPGEF4 (0.43) | RAPGEF4CYP3A4HTR3EHTR3BHTR3A | |
| SCHEMBL19765513 | 0.78 | KDM4E (0.52) | MAPTHPGDHSD17B10ALDH1A1KDM4E | |
| SCHEMBL24945817 | 0.78 | ALDH1A1 (0.54) | COMTMAPTHPGDHSD17B10ALDH1A1 | |
| SCHEMBL167428 | 0.77 | RAPGEF4 (0.41) | RAPGEF4MAPTALDH1A1HTR3EHTR3B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022212296-A1 | ARYL HETEROCYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D.E. SHAW RESEARCH, LLC (US) | 2022-10-06 | — | — | WO | disclosed |
| WO-2022076285-A1 | LACTAM COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D.E. SHAW RESEARCH, LLC (US) | 2022-04-14 | — | — | WO | disclosed |
| WO-2021071802-A1 | ARYL HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D. E. SHAW RESEARCH, LLC (US) | 2021-04-15 | — | — | WO | disclosed |