Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | TACR2 | P21452 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SHBG | P04278 | 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 | |
|---|---|---|---|---|
| SCHEMBL21186452 | 1.00 | KCNH2 (0.52) | KCNH2CYP19A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL21645767 | 1.00 | KCNH2 (0.52) | KCNH2CYP19A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL20209685 | 1.00 | KCNH2 (0.52) | KCNH2CYP19A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL1221781 | 0.98 | KCNH2 (0.48) | KCNH2CYP19A1CYP1A2CYP2D6CYP2C9 | |
| Alcohol SCHEMBL22495162 | 0.92 | KCNH2 (0.44) | KCNH2CYP19A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6049592 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL6014423 | 0.90 | CYP1A2 (0.42) | KCNH2CYP19A1CYP1A2CYP2D6CYP2C9 | |
| Piperazine SCHEMBL1442999 | 0.88 | KCNH2 (0.41) | KCNH2CYP19A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL28190946 | 0.84 | KCNH2 (0.39) | KCNH2CYP19A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL3834698 | 0.83 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105016942-A | Process for the manufacture of nitriles and their corresponding amines | SINOPEC YANGZI PETROCHEMICAL | 2015-11-04 | — | — | CN | disclosed |
| CN-105016939-A | Preparation methods of nitrile and corresponding amine | SINOPEC YANGZI PETROCHEMICAL | 2015-11-04 | — | — | CN | disclosed |
| CN-105016943-A | Preparation methods of nitrile and corresponding amine | SINOPEC YANGZI PETROCHEMICAL | 2015-11-04 | — | — | CN | disclosed |
| CN-105016945-A | Process for the manufacture of nitriles and their corresponding amines | SINOPEC YANGZI PETROCHEMICAL | 2015-11-04 | — | — | CN | disclosed |
| CN-105016940-A | Process for the manufacture of nitriles and their corresponding amines | SINOPEC YANGZI PETROCHEMICAL | 2015-11-04 | — | — | CN | disclosed |
| CN-105016944-A | Preparation methods of nitrile and corresponding amine | SINOPEC YANGZI PETROCHEMICAL | 2015-11-04 | — | — | CN | disclosed |
| CN-105016941-A | Process for the manufacture of nitriles and their corresponding amines | SINOPEC YANGZI PETROCHEMICAL | 2015-11-04 | — | — | CN | disclosed |
| CN-105001033-A | Process for the manufacture of nitriles and their corresponding amines | SINOPEC YANGZI PETROCHEMICAL | 2015-10-28 | — | — | CN | disclosed |
| CN-105001032-A | Process for the manufacture of nitriles and their corresponding amines | SINOPEC YANGZI PETROCHEMICAL | 2015-10-28 | — | — | CN | disclosed |