Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 6/20 | 0.44 |
| ▸ | ACACB | O00763 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | WNT1 | P04628 | 3/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.35 |
| ▸ | CLK2 | P49760 | 2/20 | 0.34 |
| ▸ | CLK3 | P49761 | 2/20 | 0.34 |
| ▸ | KARS1 | Q15046 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.33 |
| ▸ | PAK4 | O96013 | 1/20 | 0.33 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| SCHEMBL21812486 | 0.82 | ACACB (0.45) | HRH4ACACBKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL24454257 | 0.79 | GRIN2D (0.49) | HRH4HRH3KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL30729441 | 0.78 | LRRK2 (0.46) | ACACBKDM4EALDH1A1WNT1DYRK1A | |
| SCHEMBL22290812 | 0.78 | LRRK2 (0.46) | ACACBKDM4EALDH1A1WNT1DYRK1A | |
| SCHEMBL29889142 | 0.78 | LRRK2 (0.46) | ACACBKDM4EALDH1A1WNT1DYRK1A | |
| SCHEMBL23860614 | 0.78 | NMT1 (0.46) | ACACB | |
| SCHEMBL22290811 | 0.78 | LRRK2 (0.46) | ACACBKDM4EALDH1A1WNT1DYRK1A | |
| SCHEMBL21812444 | 0.76 | HRH4 (0.47) | HRH4ACACBKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL789776 | 0.76 | HRH4 (0.51) | HRH4ACACBKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL30476654 | 0.76 | HRH4 (0.51) | HRH4ACACBKDM4EALDH1A1SMN1; SMN2 |
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-2022173849-A1 | (HETERO)ARYLAMINO-CYCLOHEXYL-SULFONYL DERIVATIVES AS CCR6 INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2022-08-18 | — | — | WO | disclosed |