Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18701450 | 0.92 | CYP3A4 (0.50) | CYP3A4GABRA1GABRB2TSHRTRPA1 | |
| SCHEMBL15544 | 0.92 | CYP3A4 (0.50) | CYP3A4GABRA1GABRB2TSHRTRPA1 | |
| SCHEMBL29404189 | 0.92 | CYP3A4 (0.50) | CYP3A4GABRA1GABRB2TSHRTRPA1 | |
| SCHEMBL1396494 | 0.90 | CYP3A4 (0.48) | CYP3A4GABRA1GABRB2TSHRTRPA1 | |
| Formaldehyde SCHEMBL8766988 | 0.88 | CYP3A4 (0.47) | CYP3A4GABRA1GABRB2TSHRTRPA1 | |
| SCHEMBL27642484 | 0.86 | CYP3A4 (0.45) | CYP3A4GABRA1GABRB2TSHRTRPA1 | |
| SCHEMBL2884089 | 0.86 | CYP3A4 (0.45) | CYP3A4GABRA1GABRB2TSHRTRPA1 | |
| SCHEMBL16628654 | 0.86 | CYP3A4 (0.45) | CYP3A4GABRA1GABRB2TSHRTRPA1 | |
| Carbimide SCHEMBL17798183 | 0.86 | CYP3A4 (0.45) | CYP3A4GABRA1GABRB2TSHRTRPA1 | |
| Ethylene Glycol SCHEMBL28655994 | 0.85 | CYP3A4 (0.44) | CYP3A4GABRA1GABRB2TSHRTRPA1 |
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-2023274492-A1 | CATALYTIC SYNTHESIS OF FREE ISOCYANATES | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2023-01-05 | — | — | WO | disclosed |