Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.35 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | CD44 | P16070 | 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 | |
|---|---|---|---|---|
| SCHEMBL6512393 | 0.88 | CYP3A4 (0.46) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL1122678 | 0.83 | ALDH1A1 (0.45) | CYP3A4TP53TDP1ALDH1A1 | |
| SCHEMBL10899149 | 0.82 | TP53 (0.35) | TP53TDP1ALDH1A1PTGS1PTGS2 | |
| SCHEMBL18611534 | 0.78 | TP53 (0.33) | TP53TDP1PTGS1PTGS2 | |
| SCHEMBL25142209 | 0.78 | PTGS1 (0.49) | CYP3A4ALOX15SIRT1ALDH1A1PTGS1 | |
| SCHEMBL15107889 | 0.78 | TP53 (0.39) | TP53TDP1ALDH1A1 | |
| SCHEMBL23464454 | 0.77 | ALDH1A1 (0.46) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL20144645 | 0.76 | RAPGEF4 (0.38) | CYP3A4CHRM1ALOX15MAOATBXA2R | |
| SCHEMBL578860 | 0.73 | TDP1 (0.45) | CYP3A4TP53TDP1ALDH1A1PTGS1 | |
| SCHEMBL1122511 | 0.73 | CYP3A4 (0.46) | CYP3A4TP53TDP1RAPGEF4ALDH1A1 |
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-2023135233-A1 | AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS | AGV DISCOVERY (FR) | 2023-07-20 | — | — | WO | disclosed |