Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.32 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 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 | |
|---|---|---|---|---|
| SCHEMBL30536365 | 0.94 | TSHR (0.44) | ALDH1A1TSHRESR2SMN1; SMN2CA1 | |
| SCHEMBL183840 | 0.94 | TSHR (0.44) | ALDH1A1TSHRESR2SMN1; SMN2CA1 | |
| Benzene SCHEMBL28861778 | 0.91 | TSHR (0.43) | ALDH1A1TSHRESR2SMN1; SMN2CA1 | |
| Butadiene SCHEMBL6839102 | 0.89 | ALDH1A1 (0.41) | ALDH1A1TSHRESR2SMN1; SMN2CA1 | |
| Acrylonitrile SCHEMBL28462835 | 0.84 | TSHR (0.48) | ALDH1A1TSHRESR2CA1CA2 | |
| Acrylonitrile SCHEMBL220918 | 0.84 | ALDH1A1 (0.48) | ALDH1A1TSHRCYP1A2TRPA1LMNA | |
| Styrene SCHEMBL10457520 | 0.84 | ALDH1A1 (0.54) | ALDH1A1TSHRESR2SMN1; SMN2CA1 | |
| Isopropyl Alcohol SCHEMBL11293168 | 0.84 | TSHR (0.42) | ALDH1A1TSHRESR2SMN1; SMN2CA1 | |
| SCHEMBL28191077 | 0.81 | TSHR (0.35) | ALDH1A1TSHRSMN1; SMN2CYP1A2CYP3A4 | |
| Acrylonitrile SCHEMBL10952390 | 0.80 | ALDH1A1 (0.44) | ALDH1A1TSHRTRPA1LMNA |
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-105646565-A | Synthesis of nitrile-group-containing siloxane and preparation method of room-temperature condensed type nitrile silicone rubber | 山东大学 | 2016-06-08 | — | — | CN | disclosed |