Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.59 |
| ▸ | CA2 | P00918 | 5/20 | 0.59 |
| ▸ | CA12 | O43570 | 4/20 | 0.59 |
| ▸ | CA7 | P43166 | 4/20 | 0.59 |
| ▸ | CA9 | Q16790 | 4/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.59 |
| ▸ | ESR1 | P03372 | 2/20 | 0.57 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.56 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | STS | P08842 | 1/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL337806 | 0.87 | ESR1 (0.72) | CA1CA2CA12CA7CA9 | |
| SCHEMBL2785954 | 0.87 | CA12 (0.55) | CA1CA2CA12CA7CA9 | |
| SCHEMBL28659596 | 0.84 | CA12 (0.63) | CA1CA2CA12CA7CA9 | |
| SCHEMBL345875 | 0.82 | CA1 (0.59) | CA1CA2CA12CA7CA9 | |
| SCHEMBL6939271 | 0.82 | CA12 (0.59) | CA1CA2CA12CA7CA9 | |
| SCHEMBL30016425 | 0.82 | CA1 (0.59) | CA1CA2CA12CA7CA9 | |
| SCHEMBL1965326 | 0.82 | CA1 (0.73) | CA1CA2CA12CA7CA9 | |
| SCHEMBL16351874 | 0.82 | CA1 (0.73) | CA1CA2CA12CA7CA9 | |
| SCHEMBL9252178 | 0.81 | MCL1 (0.62) | CA1CA2CA12CA7CA9 | |
| SCHEMBL10607787 | 0.80 | CA1 (0.61) | CA1CA2CA12CA7CA9 |
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-119335104-A | Method for detecting related substances in Qu Faluo-containing bulk drug | 上海瑞替诺医药科技有限公司 | 2025-01-21 | — | — | CN | claimed |
| CN-119335104-A | Method for detecting related substances in Qu Faluo-containing bulk drug | 上海瑞替诺医药科技有限公司 | 2025-01-21 | — | — | CN | disclosed |