Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SERPINE1 | P05121 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA7 | P43166 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29111404 | 0.90 | PTPN1 (0.55) | SERPINE1CA12CA1CA2CA7 | |
| SCHEMBL6577941 | 0.82 | MAPT (0.40) | MAPTKDM4EPTPN1ALDH1A1TSHR | |
| SCHEMBL6044437 | 0.81 | CA12 (0.68) | SERPINE1CA12CA1CA2CA7 | |
| SCHEMBL30716937 | 0.79 | SERPINE1 (0.56) | SERPINE1CA12CA1CA2CA7 | |
| SCHEMBL29116336 | 0.79 | SERPINE1 (0.56) | SERPINE1CA12CA1CA2CA7 | |
| SCHEMBL351318 | 0.78 | MAPT (0.64) | MAPTALDH1A1TSHRADRB2ADRB1 | |
| SCHEMBL11267007 | 0.77 | CYP3A4 (0.54) | SERPINE1CA12CA1CA2CA7 | |
| SCHEMBL29162948 | 0.76 | MAPT (0.62) | MAPTALDH1A1TSHRADRB2ADRB1 | |
| SCHEMBL9417452 | 0.76 | KDM4E (0.47) | MAPTKDM4EPOLBL3MBTL1ALDH1A1 | |
| SCHEMBL11516863 | 0.76 | ALDH1A1 (0.45) | MAPTKDM4EPOLBL3MBTL1ALDH1A1 |
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-117105787-A | Novel polyester model compound and preparation method and application thereof | 中国科学院天津工业生物技术研究所 | 2023-11-24 | — | — | CN | claimed |
| CN-117106749-A | Polyester hydrolase mutant and application thereof | 中国科学院天津工业生物技术研究所 | 2023-11-24 | — | — | CN | disclosed |
| CN-117105787-A | Novel polyester model compound and preparation method and application thereof | 中国科学院天津工业生物技术研究所 | 2023-11-24 | — | — | CN | disclosed |
| CN-117105787-A | Novel polyester model compound and preparation method and application thereof | 中国科学院天津工业生物技术研究所 | 2023-11-24 | — | — | CN | disclosed |