Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 3/20 | 0.34 |
| ▸ | CTSK | P43235 | 3/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28885597 | 0.77 | AAK1 (0.43) | AAK1TRPA1CTSSCTSKCTSB | |
| SCHEMBL23727009 | 0.75 | AAK1 (0.43) | AAK1TRPA1CTSSCTSKCTSB | |
| SCHEMBL31320985 | 0.75 | CTSB (0.36) | AAK1CTSSCTSKCTSBSMN1; SMN2 | |
| SCHEMBL23750733 | 0.73 | AAK1 (0.42) | AAK1TRPA1CTSSCTSKCTSB | |
| SCHEMBL16794066 | 0.70 | AAK1 (0.45) | AAK1TRPA1CTSSCTSKCTSB | |
| SCHEMBL4797996 | 0.70 | PTPN1 (0.36) | TRPA1CTSSCTSKCTSBSMN1; SMN2 | |
| SCHEMBL4797998 | 0.70 | PTPN1 (0.36) | TRPA1CTSSCTSKCTSBSMN1; SMN2 | |
| SCHEMBL30808724 | 0.70 | PTPN1 (0.36) | TRPA1CTSSCTSKCTSBSMN1; SMN2 | |
| Water SCHEMBL29079149 | 0.68 | AAK1 (0.44) | AAK1CTSSCTSKCTSB | |
| SCHEMBL16809840 | 0.68 | AAK1 (0.45) | AAK1TRPA1CTSSCTSKCTSB |
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 |
|---|---|---|---|---|---|---|---|
| CN-115335380-B | Tricyclic heteroaryl compounds useful as IRAK4 inhibitors | 百时美施贵宝公司 | 2024-08-02 | — | — | CN | disclosed |