Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 12/20 | 0.60 |
| ▸ | INSR | P06213 | 2/20 | 0.60 |
| ▸ | ROS1 | P08922 | 5/20 | 0.53 |
| ▸ | EGFR | P00533 | 5/20 | 0.53 |
| ▸ | MET | P08581 | 1/20 | 0.49 |
| ▸ | MAPK3 | P27361 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.48 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.48 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.46 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.46 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.46 |
| ▸ | IGF1R | P08069 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28728761 | 1.00 | ALK (0.60) | ALKINSRROS1EGFRMET | |
| SCHEMBL28728617 | 0.95 | ALK (0.59) | ALKINSRROS1EGFRMET | |
| SCHEMBL29594445 | 0.92 | ALK (0.50) | ALKINSRROS1EGFRMET | |
| SCHEMBL29594613 | 0.92 | ALK (0.50) | ALKINSRROS1EGFRMET | |
| SCHEMBL28728653 | 0.92 | ALK (0.50) | ALKINSRROS1EGFRMET | |
| SCHEMBL28729780 | 0.92 | ALK (0.50) | ALKINSRROS1EGFRMET | |
| SCHEMBL28728620 | 0.92 | ALK (0.54) | ALKINSRROS1EGFRMET | |
| SCHEMBL29594658 | 0.92 | ALK (0.58) | ALKINSRROS1EGFRMET | |
| SCHEMBL28728658 | 0.92 | ALK (0.58) | ALKINSRROS1EGFRMET | |
| SCHEMBL28730017 | 0.90 | ALK (0.54) | ALKINSRROS1EGFRMET |
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-114394974-B | Polysubstituted triaryl macrocyclic compounds and uses thereof | 中国药科大学 | 2022-12-06 | — | — | CN | disclosed |
| CN-114394974-A | Polysubstituted triaryl macrocyclic compounds and uses thereof | 中国药科大学 | 2022-04-26 | — | — | CN | disclosed |