Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7561792 | 0.78 | TSHR (0.48) | TRPA1ALDH1A1TSHRCES2CES1 | |
| SCHEMBL509145 | 0.78 | TRPA1 (0.48) | TRPA1ALDH1A1TSHRCES2CES1 | |
| SCHEMBL131361 | 0.76 | ALDH1A1 (0.67) | TRPA1ALDH1A1TSHRCES2CES1 | |
| SCHEMBL11250295 | 0.76 | NR1H2 (0.32) | TSHR | |
| SCHEMBL23657331 | 0.75 | THRA (0.38) | ALDH1A1 | |
| SCHEMBL28879953 | 0.74 | HRH3 (0.50) | — | |
| SCHEMBL2018103 | 0.74 | TP53 (0.43) | TRPA1ALDH1A1TSHR | |
| SCHEMBL385188 | 0.74 | SLC6A4 (0.52) | TRPA1ALDH1A1TSHR | |
| SCHEMBL21088432 | 0.74 | TRPA1 (0.43) | TRPA1ALDH1A1TSHRCES2CES1 | |
| Bromide SCHEMBL29980639 | 0.73 | ALDH1A1 (0.62) | TRPA1ALDH1A1TSHRCES2CES1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023242631-A1 | ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | LEGOCHEM BIOSCIENCES, INC. (KR) | 2023-12-21 | — | — | WO | disclosed |
| US-5314880-A | Platelet activating factor antagonist | BRITISH BIO-TECHNOLOGY LIMITED (GB) | 1994-05-24 | — | — | US | disclosed |
| EP-0468971-A1 | NOVEL BENZIMIDAZOLE DERIVATIVES | BRITISH BIO-TECHNOLOGY LIMITED (GB) | 1992-02-05 | — | — | EP | disclosed |
| WO-1990009997-A1 | NOVEL BENZIMIDAZOLE DERIVATIVES | BRITISH BIO-TECHNOLOGY LIMITED (GB) | 1990-09-07 | — | — | WO | disclosed |