Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.59 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL5502031 | 0.82 | CYP3A4 (0.46) | CYP3A4ALDH1A1HPGDTDP1TSHR | |
| SCHEMBL11872591 | 0.80 | CYP3A4 (0.56) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 | |
| SCHEMBL1493080 | 0.78 | CYP3A4 (0.54) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 | |
| SCHEMBL11871641 | 0.78 | CYP3A4 (0.54) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 | |
| SCHEMBL31318368 | 0.77 | CYP3A4 (0.52) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 | |
| SCHEMBL58726 | 0.77 | CYP3A4 (0.52) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 | |
| SCHEMBL11862230 | 0.76 | CYP3A4 (0.47) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 | |
| SCHEMBL9863183 | 0.75 | CYP3A4 (0.44) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 | |
| SCHEMBL28258614 | 0.75 | CYP3A4 (0.37) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 | |
| SCHEMBL964183 | 0.75 | CYP3A4 (0.55) | CYP3A4GABRA1GABRB2TRPA1ALDH1A1 |
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-105778026-B | Carbodiimides quasi-oligomer containing steric hindrance and its preparation method and application | 上海华峰新材料研发科技有限公司 | 2018-11-20 | — | — | CN | disclosed |