Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 15/20 | 0.66 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.55 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL333061 | 0.90 | TBXAS1 (0.78) | TBXAS1NAPRTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL29403620 | 0.90 | TBXAS1 (0.78) | TBXAS1NAPRTCYP1A2CYP3A4CYP2C9 | |
| P-Xylene SCHEMBL6281558 | 0.89 | TBXAS1 (0.68) | TBXAS1NAPRTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL27446829 | 0.89 | TBXAS1 (0.76) | TBXAS1NAPRTCYP1A2CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL305976 | 0.89 | TBXAS1 (0.79) | TBXAS1NAPRTCYP1A2CYP3A4CYP2C9 | |
| Trifluoroacetic Acid SCHEMBL27502761 | 0.83 | TBXAS1 (0.68) | TBXAS1NAPRTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL1583762 | 0.80 | TBXAS1 (0.90) | TBXAS1NAPRT | |
| SCHEMBL30612524 | 0.80 | TBXAS1 (0.90) | TBXAS1NAPRT | |
| SCHEMBL11068577 | 0.79 | TBXAS1 (1.00) | TBXAS1NAPRTFFAR1 | |
| SCHEMBL744045 | 0.79 | TBXAS1 (1.00) | TBXAS1NAPRT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005115148-A1 | 3-ARYL-3-HYDROXY-2-METHYLENEPROPIONIC ACID ESTERS AS FUNGICIDES | CROPSOLUTION, INC. (US) | 2005-12-08 | — | — | WO | disclosed |