Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.65 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Acrylonitrile SCHEMBL180070 | 0.87 | ALDH1A1 (0.65) | ALDH1A1TSHRTHRBTDP1 | |
| Acrylonitrile SCHEMBL10915301 | 0.87 | ALDH1A1 (0.65) | ALDH1A1TSHRTHRBTDP1 | |
| Acrylonitrile SCHEMBL5382420 | 0.87 | ALDH1A1 (0.65) | ALDH1A1TSHRTHRBTDP1 | |
| SCHEMBL27571767 | 0.86 | ALDH1A1 (0.79) | ALDH1A1TSHRTHRBTDP1 | |
| Acrylonitrile SCHEMBL28123871 | 0.85 | ALDH1A1 (0.62) | ALDH1A1TSHRTHRB | |
| Acetonitrile SCHEMBL11336591 | 0.84 | ALDH1A1 (0.75) | ALDH1A1TSHRTHRBTDP1 | |
| Cyanate SCHEMBL27998220 | 0.84 | ALDH1A1 (0.75) | ALDH1A1TSHRTHRBTDP1 | |
| SCHEMBL1487430 | 0.84 | ALDH1A1 (0.50) | ALDH1A1TSHR | |
| SCHEMBL9250386 | 0.84 | ALDH1A1 (0.50) | ALDH1A1TSHR | |
| Acrylonitrile SCHEMBL1898906 | 0.83 | ALDH1A1 (0.60) | ALDH1A1TSHR |
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-105713143-A | Graft copolymers | 日本A&L株式会社 | 2016-06-29 | — | — | CN | disclosed |