Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | CCR2 | P41597 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL663309 | 1.00 | CYP3A4 (0.46) | CYP3A4TRPA1ALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL542827 | 0.81 | CYP3A4 (0.55) | CYP3A4TRPA1ALDH1A1CYP1A2TDP1 | |
| SCHEMBL29642626 | 0.80 | CYP3A4 (0.49) | CYP3A4TRPA1ALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL543165 | 0.80 | CYP3A4 (0.49) | CYP3A4TRPA1ALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL11714095 | 0.80 | CYP1A2 (0.50) | CYP3A4TRPA1ALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL29642545 | 0.80 | CYP3A4 (0.49) | CYP3A4TRPA1ALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL11229161 | 0.78 | CYP3A4 (0.52) | CYP3A4TRPA1ALDH1A1CYP1A2TDP1 | |
| SCHEMBL662858 | 0.77 | CYP3A4 (0.54) | CYP3A4TRPA1ALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL27550788 | 0.77 | CYP3A4 (0.36) | CYP3A4TRPA1ALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL11714367 | 0.77 | CA1 (0.51) | CYP3A4TRPA1ALDH1A1CYP1A2HSD17B10 |
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-110997851-B | Allyl-functionalized urethane oligomers and related compositions for coatings and adhesives | 阿科玛法国公司 | 2022-06-07 | — | — | CN | disclosed |