Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.90 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 2/20 | 0.34 |
| ▸ | TGM2 | P21980 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15072 | 0.95 | — | — | |
| SCHEMBL27799665 | 0.95 | TSHR (1.00) | TSHRALDH1A1GAAMAPK1TDP1 | |
| Isopropylamine SCHEMBL28409863 | 0.93 | TSHR (0.86) | TSHRALDH1A1GAAMAPK1TDP1 | |
| SCHEMBL30512313 | 0.92 | — | — | |
| SCHEMBL5940648 | 0.92 | TSHR (0.95) | TSHRALDH1A1GAAMAPK1TDP1 | |
| Water SCHEMBL23706522 | 0.92 | — | — | |
| SCHEMBL9245718 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL22401379 | 0.92 | — | — | |
| SCHEMBL29262255 | 0.92 | — | — | |
| SCHEMBL29026679 | 0.92 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106905472-B | A kind of functionalization responsive to temperature type polymer and the preparation method and application thereof | 北京蛋白质组研究中心 | 2019-01-29 | — | — | CN | disclosed |
| CN-106905472-A | A kind of functionalization responsive to temperature type polymer and preparation method and application | 北京蛋白质组研究中心 | 2017-06-30 | — | — | CN | disclosed |