Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.62 |
| ▸ | CA12 | O43570 | 5/20 | 0.50 |
| ▸ | CA1 | P00915 | 5/20 | 0.50 |
| ▸ | CA2 | P00918 | 5/20 | 0.50 |
| ▸ | CA9 | Q16790 | 5/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | TYMP | P19971 | 3/20 | 0.45 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | CCR10 | P46092 | 2/20 | 0.34 |
| ▸ | ARG1 | P05089 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12396375 | 0.87 | KMT2A (0.78) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL1614950 | 0.84 | KMT2A (0.67) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL14412424 | 0.84 | KMT2A (0.66) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL16473558 | 0.83 | KMT2A (0.68) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL16367339 | 0.81 | KMT2A (0.59) | KMT2ACA12CA1CA2CA9 | |
| [18F]Fluoromisonidazole SCHEMBL13020421 | 0.81 | KMT2A (0.67) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL8897223 | 0.81 | KMT2A (0.67) | KMT2ACA12CA1CA2CA9 | |
| Fluoromisonidazole SCHEMBL368122 | 0.81 | KMT2A (0.67) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL8855553 | 0.81 | KMT2A (0.67) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL2358150 | 0.81 | KMT2A (0.71) | KMT2ACA12CA1CA2CA9 |
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-110559452-B | Folic acid-nitroimidazole modified amphiphilic polymer quantum dot and preparation method and application thereof | 江苏大学 | 2022-03-22 | — | — | CN | disclosed |
| CN-110559452-A | folic acid-nitroimidazole modified amphiphilic polymer quantum dot and preparation method and application thereof | 江苏大学 | 2019-12-13 | — | — | CN | disclosed |