Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.44 |
| ▸ | CA1 | P00915 | 5/20 | 0.44 |
| ▸ | CA2 | P00918 | 5/20 | 0.44 |
| ▸ | CA9 | Q16790 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 10/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TYMP | P19971 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL29174399 | 0.88 | CA12 (0.50) | CA12CA1CA2CA9LMNA | |
| SCHEMBL27794803 | 0.88 | CA12 (0.52) | CA12CA1CA2CA9LMNA | |
| Trifluoroacetic Acid SCHEMBL29174362 | 0.85 | CA12 (0.48) | CA12CA1CA2CA9LMNA | |
| Trifluoroacetic Acid SCHEMBL29174403 | 0.84 | CA12 (0.47) | CA12CA1CA2CA9LMNA | |
| Trifluoroacetic Acid SCHEMBL29174409 | 0.83 | CA12 (0.46) | CA12CA1CA2CA9LMNA | |
| Trifluoroacetic Acid SCHEMBL30759479 | 0.76 | ARG1 (0.57) | CA12CA1CA2CA9LMNA | |
| SCHEMBL29174360 | 0.76 | CA12 (0.50) | CA12CA1CA2CA9LMNA | |
| SCHEMBL13942280 | 0.76 | CA12 (0.50) | CA12CA1CA2CA9LMNA | |
| SCHEMBL8431954 | 0.75 | CA12 (0.61) | CA12CA1CA2CA9LMNA | |
| SCHEMBL27835733 | 0.74 | BLM (0.47) | CA12CA1CA2CA9LMNA |
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-114957224-B | EGFR inhibitor for tumor hypoxia targeting and application thereof | 浙大城市学院 | 2024-03-19 | — | — | CN | disclosed |
| CN-114957224-A | Tumor hypoxia-targeted EGFR inhibitor and application thereof | 浙大城市学院 | 2022-08-30 | — | — | CN | disclosed |