Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 3/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 5/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | SNCA | P37840 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18179359 | 0.83 | CYP2A6 (0.48) | CYP2A6MAOBMAOAPDE3BPDE3A | |
| SCHEMBL28376107 | 0.82 | SNCA (0.43) | CYP2A6MAOBMAOAPDE3BPDE3A | |
| SCHEMBL28248978 | 0.79 | BACE1 (0.40) | CYP2A6MAOBMAOAPDE3BPDE3A | |
| SCHEMBL13570997 | 0.79 | AR (0.40) | CYP2A6MAOBPDE3BPDE3AAR | |
| SCHEMBL13570555 | 0.79 | LOXL2 (0.44) | CYP2A6MAOBPDE3BPDE3AAR | |
| SCHEMBL27878526 | 0.79 | CNR1 (0.40) | CYP2A6PDE3BPDE3AARSNCA | |
| SCHEMBL11808398 | 0.79 | CYP2A6 (0.39) | CYP2A6MAOBMAOAPDE3BPDE3A | |
| SCHEMBL29348018 | 0.78 | RORC (0.35) | GABRA1GABRB2SLC22A12AR | |
| SCHEMBL28248932 | 0.77 | MAOB (0.36) | MAOBMAOASLC22A12PDE3AACACB | |
| SCHEMBL28248920 | 0.77 | KDM4E (0.33) | CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106083927-B | Phosphino- amidine compound, metal complex, antigravity system and their oligomeric or olefin polymerization purposes | 切弗朗菲利浦化学公司 | 2018-10-26 | — | — | CN | disclosed |