Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 2/20 | 0.42 |
| ▸ | CDC25B | P30305 | 3/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | SNCA | P37840 | 1/20 | 0.36 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.36 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.36 |
| ▸ | NSD1 | Q96L73 | 1/20 | 0.36 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.36 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | IL5 | P05113 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27554383 | 0.69 | S100A4 (0.39) | S100A4CDC25BIDO1MAOAMAOB | |
| SCHEMBL13967835 | 0.65 | CA1 (0.45) | S100A4CDC25BIDO1MAOAMAOB | |
| SCHEMBL2434782 | 0.64 | CYP1A2 (0.39) | MAOBUHRF1CYP1A2CYP2A6IL5 | |
| SCHEMBL3197749 | 0.61 | PIM1 (0.48) | S100A4CDC25BIDO1MAOAMAOB | |
| SCHEMBL23088443 | 0.61 | PBRM1 (0.46) | UHRF1CYP1A2 | |
| SCHEMBL11858854 | 0.61 | S100A4 (0.50) | S100A4CDC25BIDO1MAOAMAOB | |
| SCHEMBL23235899 | 0.60 | GABRP (0.55) | S100A4CDC25BIDO1MAOAMAOB | |
| SCHEMBL24891186 | 0.60 | UHRF1 (0.35) | UHRF1CYP1A2CYP2A6 | |
| SCHEMBL1889820 | 0.60 | CA1 (0.50) | — | |
| SCHEMBL2599222 | 0.60 | S100A4 (1.00) | S100A4CDC25BIDO1MAOAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3399968-B1 | SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE | CS PHARMATECH LTD (KY) | 2021-10-20 | — | — | EP | disclosed |