Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.44 |
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | CA9 | Q16790 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TYMP | P19971 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | CCR10 | P46092 | 2/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28632208 | 0.89 | CYP2C19 (0.45) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL28617043 | 0.82 | KMT2A (0.43) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL11369850 | 0.80 | CA12 (0.51) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL28922155 | 0.80 | LMNA (0.46) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL14199605 | 0.80 | CA12 (0.46) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL28619814 | 0.79 | CA12 (0.36) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL366282 | 0.79 | CA12 (0.50) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL2552403 | 0.78 | CA12 (0.57) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL11390072 | 0.78 | CA12 (0.64) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL29025726 | 0.77 | CA12 (0.42) | CA12CA1CA2CA9KMT2A |
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 |