Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.32 |
| ▸ | RET | P07949 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21392315 | 1.00 | EGFR (0.32) | EGFRERBB2RET | |
| SCHEMBL26122121 | 1.00 | EGFR (0.32) | EGFRERBB2RET | |
| SCHEMBL2927453 | 0.78 | GAA (0.32) | EGFRERBB2 | |
| SCHEMBL2927456 | 0.78 | GAA (0.32) | EGFRERBB2 | |
| SCHEMBL19656322 | 0.78 | — | — | |
| SCHEMBL17573082 | 0.72 | CCNC (0.32) | — | |
| SCHEMBL31749682 | 0.61 | MAPK1 (0.40) | — | |
| SCHEMBL16013200 | 0.61 | EGFR (0.36) | EGFRERBB2 | |
| SCHEMBL16013981 | 0.61 | EGFR (0.36) | EGFRERBB2 | |
| SCHEMBL2416474 | 0.60 | APLNR (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023180189-A1 | MPRO TARGETING ANTIVIRAL COMPOUNDS | EXSCIENTIA AI LIMITED (GB) | 2023-09-28 | — | — | WO | disclosed |