Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 11/20 | 0.43 |
| ▸ | CTSK | P43235 | 9/20 | 0.43 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 3/20 | 0.41 |
| ▸ | CTSL | P07711 | 2/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29945842 | 1.00 | TRPA1 (0.46) | TRPA1CTSSCTSKAAK1CTSB | |
| SCHEMBL23563447 | 1.00 | TRPA1 (0.46) | TRPA1CTSSCTSKAAK1CTSB | |
| SCHEMBL29278101 | 0.86 | TRPA1 (0.50) | TRPA1CTSSCTSKAAK1CTSB | |
| SCHEMBL29945762 | 0.85 | TRPA1 (0.44) | TRPA1CTSSCTSKAAK1CTSB | |
| SCHEMBL28880437 | 0.85 | TRPA1 (0.44) | TRPA1CTSSCTSKAAK1CTSB | |
| SCHEMBL23563604 | 0.85 | TRPA1 (0.44) | TRPA1CTSSCTSKAAK1CTSB | |
| SCHEMBL25130919 | 0.82 | TSHR (0.46) | CTSSCTSKAAK1 | |
| SCHEMBL23525828 | 0.82 | SOS1 (0.41) | — | |
| SCHEMBL23525827 | 0.82 | SOS1 (0.41) | — | |
| SCHEMBL30014414 | 0.82 | SOS1 (0.41) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117999263-A | SOS1 inhibitor with pyrido six-membered ring structure | 上海海和药物研究开发股份有限公司 | 2024-05-07 | — | — | CN | disclosed |
| CN-115135315-A | SOS1 inhibitors | 米拉蒂治疗股份有限公司 | 2022-09-30 | — | — | CN | disclosed |