Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 2/20 | 0.31 |
| ▸ | NOS1 | P29475 | 2/20 | 0.31 |
| ▸ | NOS2 | P35228 | 2/20 | 0.31 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.31 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL462794 | 0.88 | CYP3A4 (0.52) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 | |
| SCHEMBL365140 | 0.83 | CYP3A4 (0.50) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 | |
| SCHEMBL9575202 | 0.82 | CYP3A4 (0.47) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 | |
| SCHEMBL3836353 | 0.81 | TSHR (0.53) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 | |
| SCHEMBL10652357 | 0.81 | CYP3A4 (0.42) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 | |
| Toluene SCHEMBL28374872 | 0.80 | CYP3A4 (0.48) | CYP3A4TRPA1GABRA1GABRB2HPGD | |
| SCHEMBL11342431 | 0.79 | CYP3A4 (0.47) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 | |
| SCHEMBL17593362 | 0.79 | CYP3A4 (0.47) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 | |
| SCHEMBL31119385 | 0.79 | CYP3A4 (0.47) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 | |
| SCHEMBL28611992 | 0.79 | CYP3A4 (0.47) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110366449-B | Catalyst for hydrosilylation, hydrogenation, and hydrosilane reduction | 国立大学法人九州大学 | 2022-10-21 | — | — | CN | disclosed |