Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.71 |
| ▸ | CA12 | O43570 | 3/20 | 0.68 |
| ▸ | CA1 | P00915 | 3/20 | 0.68 |
| ▸ | CA2 | P00918 | 3/20 | 0.68 |
| ▸ | CA4 | P22748 | 3/20 | 0.68 |
| ▸ | CA9 | Q16790 | 3/20 | 0.68 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30395994 | 0.98 | TDP1 (0.69) | TDP1CA12CA1CA2CA4 | |
| SCHEMBL9951995 | 0.97 | TDP1 (0.66) | TDP1CA12CA1CA2CA4 | |
| SCHEMBL13291926 | 0.91 | CA12 (0.65) | TDP1CA12CA1CA2CA4 | |
| SCHEMBL30396116 | 0.90 | TDP1 (0.59) | TDP1CA12CA1CA2CA4 | |
| SCHEMBL3651259 | 0.84 | CA12 (0.68) | TDP1CA12CA1CA2CA4 | |
| SCHEMBL3649474 | 0.84 | CA12 (0.68) | TDP1CA12CA1CA2CA4 | |
| SCHEMBL223441 | 0.84 | TDP1 (1.00) | TDP1LMNAESR2MAPK1HIF1A | |
| SCHEMBL3654588 | 0.83 | CA12 (0.55) | CA12CA1CA2CA4CA9 | |
| SCHEMBL11896606 | 0.82 | TDP1 (0.96) | TDP1LMNAMAPK1HIF1ASLC6A2 | |
| SCHEMBL17466182 | 0.82 | TDP1 (0.96) | TDP1LMNAMAPK1HIF1ASLC6A2 |
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-116063237-A | NO donor type ligustrazine derivative, preparation method, composition and application | 武汉科技大学 | 2023-05-05 | — | — | CN | disclosed |