Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 8/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 6/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | STK17B | O94768 | 1/20 | 0.40 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | PTGER1 | P34995 | 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 | |
|---|---|---|---|---|
| SCHEMBL29169125 | 1.00 | AAK1 (0.48) | AAK1TRPA1CNR2CNR1STK17B | |
| SCHEMBL29169087 | 0.89 | AAK1 (0.46) | AAK1TRPA1IRAK4ACACBPTGER1 | |
| SCHEMBL29168923 | 0.88 | AAK1 (0.47) | AAK1TRPA1 | |
| SCHEMBL25075435 | 0.88 | AAK1 (0.47) | AAK1TRPA1 | |
| SCHEMBL25397733 | 0.81 | AAK1 (0.43) | AAK1TRPA1 | |
| SCHEMBL25397736 | 0.81 | AAK1 (0.43) | AAK1TRPA1 | |
| SCHEMBL29882519 | 0.80 | AAK1 (0.51) | AAK1TRPA1PTGER1 | |
| SCHEMBL23609241 | 0.80 | AAK1 (0.51) | AAK1TRPA1PTGER1 | |
| SCHEMBL28850131 | 0.80 | AAK1 (0.51) | AAK1TRPA1PTGER1 | |
| SCHEMBL25075354 | 0.80 | AAK1 (0.43) | AAK1TRPA1IRAK4ACACB |
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-2023020479-A1 | PARP7 INHIBITOR AND APPLICATION THEREOF | 重庆华森制药股份有限公司 | 2023-02-23 | — | — | WO | disclosed |