Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 2/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | METAP1 | P53582 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5648628 | 0.76 | PGR (0.49) | CA1CA2CA4CA7CA9 | |
| SCHEMBL20323369 | 0.71 | PGR (0.44) | CA1CA2CA4CA7CA9 | |
| SCHEMBL31618926 | 0.70 | CA1 (0.43) | CA1CA2CA4CA7CA9 | |
| SCHEMBL22373385 | 0.68 | PDK2 (0.47) | CA1CA2CA4CA7CA9 | |
| SCHEMBL6992256 | 0.66 | ALDH1A1 (0.42) | CA1CA2CA4CA7CA9 | |
| SCHEMBL3368868 | 0.65 | PGR (0.69) | CA1CA2CA4CA7CA9 | |
| SCHEMBL8733733 | 0.65 | MAOB (0.52) | CA1CA2CA4CA7CA9 | |
| SCHEMBL13020873 | 0.64 | MEN1 (0.41) | CA1CA2CA4CA7CA9 | |
| SCHEMBL11703293 | 0.64 | ALDH1A1 (0.40) | CA1CA2CA4CA7CA9 | |
| SCHEMBL17571344 | 0.63 | CYP3A4 (0.39) | CA1CA2CA4CA7CA9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116444355-A | Sesquiterpenoids and preparation method and application thereof | 中国科学院昆明植物研究所 | 2023-07-18 | — | — | CN | claimed |
| CN-116444355-B | Sesquiterpenoids and preparation method and application thereof | 中国科学院昆明植物研究所 | 2024-09-24 | — | — | CN | disclosed |
| CN-116444355-B | Sesquiterpenoids and preparation method and application thereof | 中国科学院昆明植物研究所 | 2024-09-24 | — | — | CN | disclosed |
| CN-116444355-A | Sesquiterpenoids and preparation method and application thereof | 中国科学院昆明植物研究所 | 2023-07-18 | — | — | CN | disclosed |
| CN-116444355-A | Sesquiterpenoids and preparation method and application thereof | 中国科学院昆明植物研究所 | 2023-07-18 | — | — | CN | disclosed |