Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.30 |
| ▸ | ANPEP | P15144 | 1/20 | 0.30 |
| ▸ | DNPEP | Q9ULA0 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL1734719 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL5967102 | 0.72 | CA1 (0.43) | CA1TRPA1 | |
| SCHEMBL93311 | 0.70 | — | — | |
| SCHEMBL10904191 | 0.69 | — | — | |
| SCHEMBL12150309 | 0.68 | CA1 (0.43) | CA1TDP1TSHRALDH1A1 | |
| SCHEMBL13219663 | 0.67 | CA1 (0.46) | CA1TDP1TRPA1ALDH1A1 | |
| SCHEMBL4485416 | 0.67 | CA1 (0.46) | CA1TRPA1 | |
| SCHEMBL17503311 | 0.67 | CA1 (0.46) | CA1TRPA1 | |
| SCHEMBL4485413 | 0.67 | CA1 (0.46) | CA1TRPA1 | |
| SCHEMBL25616611 | 0.67 | CA1 (0.41) | CA1TDP1TRPA1TSHRP2RX7 |
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 |
|---|---|---|---|---|---|---|---|
| US-4487946-A | USING QUATERNARY AMONIUM OR PHOSPHONIUM CATALYST | NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) | 1984-12-11 | — | — | US | disclosed |