Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 8/20 | 0.49 |
| ▸ | CA1 | P00915 | 8/20 | 0.49 |
| ▸ | CA9 | Q16790 | 8/20 | 0.49 |
| ▸ | CA2 | P00918 | 7/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TYMP | P19971 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CCR10 | P46092 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27794804 | 0.93 | CA12 (0.46) | CA12CA1CA9CA2KMT2A | |
| SCHEMBL941807 | 0.84 | MMP2 (0.43) | CA12CA1CA9CA2TYMP | |
| SCHEMBL8211578 | 0.83 | ALDH1A1 (0.44) | CA12CA1CA9CA2KMT2A | |
| SCHEMBL15597370 | 0.82 | CA12 (0.56) | CA12CA1CA9CA2KMT2A | |
| SCHEMBL16367292 | 0.81 | KMT2A (0.54) | CA12CA1CA9CA2KMT2A | |
| SCHEMBL16367296 | 0.80 | KMT2A (0.47) | CA12CA1CA9CA2KMT2A | |
| SCHEMBL5658838 | 0.79 | TSHR (0.41) | CA12CA1CA9CYP24A1KDM4E | |
| SCHEMBL15899140 | 0.79 | CA12 (0.41) | CA12CA1CA9CA2KMT2A | |
| SCHEMBL9236173 | 0.78 | SMN1; SMN2 (0.50) | CA12CA1CA9CA2KMT2A | |
| SCHEMBL943760 | 0.77 | CA12 (0.51) | CA12CA1CA9CA2KMT2A |
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-113387927-B | Nitroimidazole derivative for preparing hypoxia imaging agent and preparation method and application thereof | 首都医科大学脑重大疾病研究中心(北京脑重大疾病研究院) | 2022-10-04 | — | — | CN | disclosed |
| CN-113387927-A | Nitroimidazole derivative for preparing hypoxia imaging agent and preparation method and application thereof | 首都医科大学脑重大疾病研究中心(北京脑重大疾病研究院) | 2021-09-14 | — | — | CN | disclosed |