Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.45 |
| ▸ | BTK | Q06187 | 1/20 | 0.45 |
| ▸ | SRC | P12931 | 5/20 | 0.39 |
| ▸ | PI4KA | P42356 | 1/20 | 0.39 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.39 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.39 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | TEK | Q02763 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 3/20 | 0.38 |
| ▸ | AKT2 | P31751 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27651256 | 0.87 | CYP3A4 (0.39) | EGFRBTKCYP3A4MEN1ALDH1A1 | |
| SCHEMBL1501671 | 0.86 | EGFR (0.50) | EGFRBTKSRCPI4KAPI4K2B | |
| Hydrochloric Acid SCHEMBL1501585 | 0.85 | EGFR (0.49) | EGFRBTKSRCPI4KAPI4K2B | |
| Tert-Butyl Formate SCHEMBL28057856 | 0.81 | METTL3 (0.46) | EGFRSRCLCKTEKMEN1 | |
| Tert-Butyl Formate SCHEMBL28794668 | 0.80 | ADA (0.39) | MEN1ALDH1A1MAPTPKMALOX15 | |
| SCHEMBL30164318 | 0.79 | EGFR (0.47) | EGFRBTKSRCPI4KAPI4K2B | |
| SCHEMBL30515997 | 0.79 | EGFR (0.49) | EGFRBTKSRCPI4KAPI4K2B | |
| SCHEMBL30041613 | 0.77 | EGFR (0.55) | EGFRBTKSRCPI4KAPI4K2B | |
| SCHEMBL20744975 | 0.77 | EGFR (0.55) | EGFRBTKSRCPI4KAPI4K2B | |
| Tert-Butyl Formate SCHEMBL27880687 | 0.77 | SRC (0.50) | EGFRSRCLCKTEKABL1 |
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-101242834-A | Inhibitors of AKT activity | MERCK & CO INC (US) | 2008-08-13 | — | — | CN | disclosed |
| CN-1809354-A | Inhibitors of Akt activity | MERCK & CO INC (US) | 2006-07-26 | — | — | CN | disclosed |