Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.31 |
| ▸ | PGD | P52209 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL43994 | 1.00 | TRPA1 (0.41) | TRPA1TP53PTGS1KCNH2OR51E2 | |
| SCHEMBL29796591 | 1.00 | TRPA1 (0.41) | TRPA1TP53PTGS1KCNH2OR51E2 | |
| SCHEMBL56322 | 1.00 | TRPA1 (0.41) | TRPA1TP53PTGS1KCNH2OR51E2 | |
| Benzene SCHEMBL28271106 | 0.96 | TRPA1 (0.47) | TRPA1TP53PTGS1KCNH2OR51E2 | |
| Acetic Acid SCHEMBL11315936 | 0.96 | TRPA1 (0.39) | TRPA1TP53PTGS1KCNH2OR51E2 | |
| 1,4-Butanediol SCHEMBL28964157 | 0.92 | PTGS1 (0.42) | TRPA1TP53PTGS1KCNH2 | |
| Phosphoric Acid SCHEMBL28103751 | 0.92 | TRPA1 (0.37) | TRPA1TP53PTGS1KCNH2 | |
| Propionic Acid SCHEMBL2795059 | 0.92 | FFAR3 (0.37) | TRPA1TP53PTGS1KCNH2 | |
| Bicarbonate SCHEMBL4019509 | 0.91 | TRPA1 (0.44) | TRPA1TP53PTGS1KCNH2 | |
| Adipic Acid SCHEMBL27614593 | 0.89 | LMNA (0.38) | OR51E2 |
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-6242388-B1 | OIL AND GAS WELLS WITH COUPLING SOLVENTS AND SURFACTANTS | EASTMAN CHEMICAL COMPANY | 2001-06-05 | — | — | US | disclosed |