Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.63 |
| ▸ | ESR1 | P03372 | 3/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | MIF | P14174 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.41 |
| ▸ | ABAT | P80404 | 1/20 | 0.41 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | FNTA | P49354 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21089 | 0.88 | MIF (0.44) | TRPA1MIFALDH1A1 | |
| SCHEMBL22471901 | 0.85 | MIF (0.43) | TRPA1MIFALDH1A1 | |
| Water SCHEMBL14972874 | 0.85 | MIF (0.43) | TRPA1MIFALDH1A1 | |
| Water SCHEMBL29040332 | 0.85 | MIF (0.43) | TRPA1MIFALDH1A1 | |
| SCHEMBL19833054 | 0.82 | TRPA1 (0.42) | TRPA1MIFCA2ALDH1A1 | |
| SCHEMBL5466297 | 0.81 | CYP3A4 (0.54) | TRPA1ESR1ESR2MIFKDM4E | |
| Cyclohexane SCHEMBL28302863 | 0.81 | MIF (0.40) | TRPA1MIFALDH1A1 | |
| SCHEMBL31094964 | 0.81 | MIF (0.40) | TRPA1MIFALDH1A1 | |
| SCHEMBL24833766 | 0.79 | MIF (0.39) | TRPA1MIFALDH1A1 | |
| SCHEMBL436823 | 0.79 | IDO1 (0.42) | TRPA1MIFCA2CTBP2ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116239756-A | Polyisocyanate composition stable in visible light and application thereof | 万华化学集团股份有限公司 | 2023-06-09 | — | — | CN | claimed |
| CN-116239756-A | Polyisocyanate composition stable in visible light and application thereof | 万华化学集团股份有限公司 | 2023-06-09 | — | — | CN | disclosed |
| CN-116239756-A | Polyisocyanate composition stable in visible light and application thereof | 万华化学集团股份有限公司 | 2023-06-09 | — | — | CN | disclosed |
| EP-0060673-B1 | EXTRUDABLE FILM-FORMING COMPOSITIONS OF ZIEGLER-NATTA CATALYZED OLEFIN POLYMERS INCLUDING ANTI-GEL AND ANTI-BLOCK COMPONENTS | UNION CARBIDE CORPORATION (US) | 1986-03-05 | — | — | EP | disclosed |