Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL28566959 | 0.87 | TP53 (0.32) | — | |
| SCHEMBL16959038 | 0.86 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL16952511 | 0.82 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL1645454 | 0.82 | MAPT (0.33) | ALDH1A1MEN1KMT2A | |
| SCHEMBL489258 | 0.81 | ALDH1A1 (0.43) | ALDH1A1MEN1CYP3A4KMT2A | |
| SCHEMBL9246872 | 0.81 | ALDH1A1 (0.43) | ALDH1A1MEN1CYP3A4KMT2A | |
| SCHEMBL1683154 | 0.80 | ALDH1A1 (0.34) | ALDH1A1MEN1CYP3A4KMT2A | |
| SCHEMBL11773820 | 0.80 | TTR (0.37) | ALDH1A1MEN1KMT2A | |
| SCHEMBL16954095 | 0.79 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL16952690 | 0.78 | ERN1 (0.31) | ALDH1A1 |
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-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 |
| 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 | disclosed |