Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | FYN | P06241 | 2/20 | 0.36 |
| ▸ | MMP9 | P14780 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28347962 | 0.83 | CA2 (0.45) | CA2CA1CA12CA9KMT2A | |
| SCHEMBL359674 | 0.83 | ALDH1A1 (0.41) | CA2CA1CA12CA9KMT2A | |
| Hydrochloric Acid SCHEMBL1805607 | 0.80 | ALDH1A1 (0.39) | CA2CA1CA12CA9KMT2A | |
| Bromide SCHEMBL20984375 | 0.80 | ALDH1A1 (0.39) | CA2CA1CA12CA9KMT2A | |
| SCHEMBL5512079 | 0.77 | PDE4D (0.38) | CA2CA1CA12CA9KMT2A | |
| Phosphoric Acid SCHEMBL20984237 | 0.76 | KMT2A (0.40) | CA2CA1CA12CA9KMT2A | |
| Oxalic Acid SCHEMBL20984865 | 0.76 | KMT2A (0.48) | CA2CA1CA12CA9KMT2A | |
| Sulfuric Acid SCHEMBL20984565 | 0.76 | CA1 (0.44) | CA2CA1CA12CA9KMT2A | |
| SCHEMBL5515475 | 0.74 | KMT2A (0.35) | CA2CA1CA12CA9KMT2A | |
| SCHEMBL21876495 | 0.73 | ACHE (0.48) | CA2CA1CA9ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021027943-A1 | PYRIMIDINOPYRIDAZINONE DERIVATIVE AND MEDICAL USE THEREOF | 正大天晴药业集团南京顺欣制药有限公司 | 2021-02-18 | — | — | WO | disclosed |