Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | AHR | P35869 | 4/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.37 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | HNF4A | P41235 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25672026 | 0.84 | CYP1A2 (0.42) | CYP1A2CYP2A6AHRMAOAABCG2 | |
| SCHEMBL25672930 | 0.81 | CYP1A2 (0.39) | CYP1A2CYP2A6AHRMAOAABCG2 | |
| SCHEMBL9779121 | 0.79 | CYP1A2 (0.48) | CYP1A2CYP2A6AHRMAOAABCG2 | |
| SCHEMBL25672935 | 0.74 | CYP1A2 (0.43) | CYP1A2CYP2A6AHRMAOAABCG2 | |
| SCHEMBL10109875 | 0.71 | L3MBTL1 (0.47) | CYP1A2CYP2A6AHRMAOAABCG2 | |
| SCHEMBL13935829 | 0.70 | CYP1A2 (0.46) | CYP1A2CYP2A6AHRMAOAABCG2 | |
| SCHEMBL597413 | 0.69 | CYP1A2 (0.57) | CYP1A2CYP2A6AHRMAOAFYN | |
| SCHEMBL18327949 | 0.68 | ALDH1A1 (0.46) | CYP1A2CYP2A6TDP1CYP3A4HPGD | |
| SCHEMBL9917123 | 0.68 | MAOB (0.44) | CYP1A2AHRMAOAABCG2PAX8 | |
| SCHEMBL20350074 | 0.68 | KDM4E (0.50) | CYP1A2AHRMAOAABCG2PAX8 |
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-2023060929-A1 | APPLICATION OF POLYDENTATE PHOSPHITE LIGAND IN CATALYTIC SYNTHESIS OF ADIPONITRILE | 浙江大学 | 2023-04-20 | — | — | WO | disclosed |