Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28559902 | 0.95 | ALDH1A1 (0.36) | ALDH1A1TP53TDP1TRPA1CNR1 | |
| SCHEMBL22572835 | 0.84 | FURIN (0.34) | — | |
| SCHEMBL56283 | 0.83 | CA5A (0.30) | — | |
| SCHEMBL19189337 | 0.81 | KDM4E (0.31) | ALDH1A1 | |
| SCHEMBL21338765 | 0.80 | CA5A (0.46) | ALDH1A1TP53TDP1 | |
| SCHEMBL9333647 | 0.80 | TDP1 (0.52) | ALDH1A1TP53TDP1TRPA1HDAC8 | |
| SCHEMBL1760727 | 0.77 | ALDH1A1 (0.55) | ALDH1A1TP53TDP1TRPA1HDAC8 | |
| Styrene SCHEMBL1171199 | 0.77 | ALDH1A1 (0.54) | ALDH1A1TP53TDP1TSHR | |
| SCHEMBL10336611 | 0.72 | CA5A (0.48) | ALDH1A1 | |
| SCHEMBL21338780 | 0.72 | ALDH1A1 (0.35) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109776358-B | Polyalkenyl aryl isocyanate and preparation method and application thereof | 万华化学集团股份有限公司 | 2021-05-14 | — | — | CN | claimed |
| CN-109776358-A | A kind of polyene-based aromatic isocyanate and its preparation method and application | 万华化学集团股份有限公司 | 2019-05-21 | — | — | CN | claimed |
| CN-109776358-B | Polyalkenyl aryl isocyanate and preparation method and application thereof | 万华化学集团股份有限公司 | 2021-05-14 | — | — | CN | disclosed |