Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28123113 | 0.96 | ALDH1A1 (0.54) | ALDH1A1TSHRELANEKDM4EADORA2A | |
| Benzene SCHEMBL28206681 | 0.95 | ALDH1A1 (0.52) | ALDH1A1TSHRELANEKDM4EADORA2A | |
| Acrylonitrile SCHEMBL5382420 | 0.94 | ALDH1A1 (0.65) | ALDH1A1TSHR | |
| Acrylonitrile SCHEMBL10915301 | 0.94 | ALDH1A1 (0.65) | ALDH1A1TSHR | |
| Acrylonitrile SCHEMBL180070 | 0.94 | ALDH1A1 (0.65) | ALDH1A1TSHR | |
| Methacrylic Acid SCHEMBL28021806 | 0.92 | ALDH1A1 (0.58) | ALDH1A1TSHR | |
| Methacrylic Acid SCHEMBL9300136 | 0.92 | ALDH1A1 (0.58) | ALDH1A1TSHR | |
| Acrylonitrile SCHEMBL28123871 | 0.92 | ALDH1A1 (0.62) | ALDH1A1TSHR | |
| Acrylic Acid SCHEMBL11663017 | 0.91 | ALDH1A1 (0.56) | ALDH1A1TSHR | |
| Acrylonitrile SCHEMBL1898906 | 0.90 | 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-104684995-B | Thermoplastic resin composition and its products formed containing natural rubber | 东丽株式会社 | 2017-06-23 | — | — | CN | disclosed |