Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | LPAR1 | Q92633 | 3/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL16137463 | 0.88 | TDP1 (0.30) | TDP1 | |
| SCHEMBL3179891 | 0.74 | HCAR2 (0.38) | TRPA1ALDH1A1 | |
| SCHEMBL17315931 | 0.73 | BCHE (0.31) | — | |
| SCHEMBL23701039 | 0.71 | TRPA1 (0.32) | TRPA1TDP1 | |
| SCHEMBL13528594 | 0.71 | HTR2A (0.39) | ALDH1A1LPAR1TDP1 | |
| SCHEMBL3888063 | 0.70 | ALDH1A1 (0.35) | TRPA1ALDH1A1TSHRTDP1 | |
| SCHEMBL27640410 | 0.70 | ALDH1A1 (0.32) | ALDH1A1TSHR | |
| SCHEMBL15015940 | 0.69 | TRPA1 (0.31) | TRPA1 | |
| SCHEMBL11265910 | 0.69 | CSNK1E (0.39) | ALDH1A1 | |
| SCHEMBL23701036 | 0.68 | TDP1 (0.37) | TRPA1ALDH1A1TSHRTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4385985-A1 | HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF | Xizang Haisco Pharmaceutical Co., Ltd. (CN) | 2024-06-19 | — | — | EP | disclosed |
| WO-2023208165-A1 | NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL APPLICATION THEREOF | 四川海思科制药有限公司 | 2023-11-02 | — | — | WO | disclosed |