Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SOS1 | Q07889 | 15/20 | 0.56 |
| ▸ | KRAS | P01116 | 5/20 | 0.56 |
| ▸ | EGFR | P00533 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29002562 | 0.92 | SOS1 (0.57) | SOS1KRASEGFR | |
| SCHEMBL24576519 | 0.84 | GALR3 (0.58) | SOS1KRASEGFR | |
| SCHEMBL29775101 | 0.84 | GALR3 (0.58) | SOS1KRASEGFR | |
| SCHEMBL24576525 | 0.84 | GALR3 (0.58) | SOS1KRASEGFR | |
| SCHEMBL29002504 | 0.79 | SOS1 (0.51) | SOS1KRAS | |
| SCHEMBL29595043 | 0.77 | SOS1 (0.67) | SOS1KRASEGFRHTTKDM4E | |
| SCHEMBL20509228 | 0.77 | SOS1 (0.67) | SOS1KRASEGFRHTTKDM4E | |
| SCHEMBL20509227 | 0.77 | SOS1 (0.67) | SOS1KRASEGFRHTTKDM4E | |
| SCHEMBL18171867 | 0.76 | LPL (0.39) | EGFR | |
| SCHEMBL20445835 | 0.76 | RPS6KB1 (0.48) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116143708-A | Polysubstituted benzazepine heteroaryl derivative and application thereof | 四川汇宇制药股份有限公司 | 2023-05-23 | — | — | CN | disclosed |