Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 6/20 | 0.43 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.43 |
| ▸ | PTPN6 | P29350 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HNF4A | P41235 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ASPH | Q12797 | 1/20 | 0.39 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | ALB | P02768 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL4092354 | 0.85 | MCL1 (0.48) | MCL1PTPN1PTPN2PTPN6HNF4A | |
| SCHEMBL5032374 | 0.83 | CES2 (0.38) | MCL1CES2CES1PTGS2ALDH1A1 | |
| SCHEMBL1715824 | 0.82 | ALDH1A1 (0.47) | PTPN1PTPN2PTPN6CYP3A4HNF4A | |
| SCHEMBL220169 | 0.82 | MCL1 (0.51) | MCL1PTPN1PTPN2PTPN6HNF4A | |
| SCHEMBL6604454 | 0.81 | PTPN1 (0.43) | PTPN1PTPN2PTPN6CYP3A4HNF4A | |
| Bicarbonate SCHEMBL28992540 | 0.80 | PLA2G7 (0.45) | CES2CES1PTGS2PIM1ALDH1A1 | |
| SCHEMBL11922585 | 0.79 | PTGS2 (0.45) | MCL1KDM4EPTGS2ALDH1A1LMNA | |
| SCHEMBL30646335 | 0.78 | PTPN1 (0.69) | MCL1PTPN1PTPN2PTPN6CYP3A4 | |
| SCHEMBL28190707 | 0.78 | MCL1 (0.45) | MCL1PTPN1PTPN2PTPN6HNF4A | |
| SCHEMBL1813987 | 0.78 | PTPN1 (0.69) | MCL1PTPN1PTPN2PTPN6CYP3A4 |
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-104797555-A | N-substituted benzamides and methods of use thereof | GENENTECH INC | 2015-07-22 | — | — | CN | disclosed |
| CN-104718188-A | N-substituted benzamides and their use in the treatment of pain | GENENTECH INC | 2015-06-17 | — | — | CN | disclosed |