Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 3/20 | 0.38 |
| ▸ | CMA1 | P23946 | 1/20 | 0.38 |
| ▸ | TYR | P14679 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 3/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL27648955 | 0.88 | CYP2A6 (0.45) | CYP2A6MAOAAHRMAPTBACE1 | |
| Ethoxycarbonyl Group SCHEMBL27526972 | 0.84 | CYP2A6 (0.46) | CYP2A6MEN1POLBMAPK1KMT2A | |
| Ethoxycarbonyl Group SCHEMBL27792586 | 0.83 | CYP2A6 (0.43) | CYP2A6MEN1POLBMAPK1KMT2A | |
| Ethoxycarbonyl Group SCHEMBL27528322 | 0.82 | AHR (0.62) | CYP2A6MEN1POLBMAPK1KMT2A | |
| Ethoxycarbonyl Group SCHEMBL27785495 | 0.82 | TYR (0.62) | CYP2A6MEN1POLBMAPK1KMT2A | |
| Ethoxycarbonyl Group SCHEMBL27550867 | 0.82 | AHR (0.62) | CYP2A6MEN1POLBMAPK1KMT2A | |
| Ethoxycarbonyl Group SCHEMBL28658781 | 0.82 | AHR (0.62) | CYP2A6MEN1POLBMAPK1KMT2A | |
| Ethoxycarbonyl Group SCHEMBL28929781 | 0.81 | KMT2A (0.69) | CYP2A6MEN1POLBMAPK1KMT2A | |
| Ethoxycarbonyl Group SCHEMBL28291598 | 0.81 | ALDH1A1 (0.50) | CYP2A6MAPK1MAOAMAPTKDM4E | |
| Ethoxycarbonyl Group SCHEMBL28291595 | 0.80 | CYP2A6 (0.43) | CYP2A6MEN1POLBMAPK1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105745192-A | Substituted phenylalanine derivatives | 拜耳制药股份公司 | 2016-07-06 | — | — | CN | disclosed |
| CN-105164122-A | Substituted oxopyridine derivatives and their use in the treatment of cardiovascular disorders | Bayer Pharma AG | 2015-12-16 | — | — | CN | disclosed |
| CN-101790313-A | Compound (I) | SMITHKLINE BEECHAM CORP | 2010-07-28 | — | — | CN | disclosed |