Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.53 |
| ▸ | CNR2 | P34972 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5176359 | 0.83 | CA1 (0.53) | CNR1CNR2CA1CA2CA9 | |
| SCHEMBL29930606 | 0.82 | TDP1 (0.58) | CA1CA2CA9MEN1KMT2A | |
| SCHEMBL29930110 | 0.82 | TDP1 (0.58) | CA1CA2CA9MEN1KMT2A | |
| SCHEMBL27269224 | 0.81 | CA1 (0.52) | CNR1CNR2CA1CA2CA9 | |
| SCHEMBL8761644 | 0.81 | HTR6 (0.49) | CNR1CNR2CA1CA2CA9 | |
| SCHEMBL15903702 | 0.81 | CA1 (0.52) | CA1CA2CA9TDP1L3MBTL1 | |
| SCHEMBL9495365 | 0.81 | ESR1 (0.49) | CNR1CNR2CA1CA2CA9 | |
| SCHEMBL29930612 | 0.81 | L3MBTL1 (0.60) | CA1CA2CA9MEN1KMT2A | |
| Formaldehyde SCHEMBL27861000 | 0.80 | CA1 (0.50) | CNR1CNR2CA1CA2CA9 | |
| SCHEMBL30998117 | 0.78 | CA1 (0.49) | CA1CA2CA9TDP1L3MBTL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115103850-A | 2-methoxyestradiol derivatives and medical use thereof | 韩国巴斯德研究所 | 2022-09-23 | — | — | CN | claimed |