Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.56 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.56 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.53 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.46 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.46 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.46 |
| ▸ | METAP2 | P50579 | 1/20 | 0.46 |
| ▸ | MYC | P01106 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27704996 | 0.87 | KEAP1 (0.58) | KEAP1NFE2L2BCAT2PDK2CSNK1A1 | |
| SCHEMBL1898665 | 0.82 | BCAT2 (0.59) | KEAP1NFE2L2BCAT2CSNK1A1TYRO3 | |
| SCHEMBL29941064 | 0.82 | BCAT2 (0.59) | KEAP1NFE2L2BCAT2CSNK1A1TYRO3 | |
| SCHEMBL15952999 | 0.81 | BCAT2 (0.53) | KEAP1NFE2L2BCAT2PDK2CSNK1A1 | |
| SCHEMBL27950189 | 0.81 | FABP4 (0.55) | KEAP1NFE2L2BCAT2METAP2KDM4E | |
| SCHEMBL5713285 | 0.81 | KEAP1 (0.50) | KEAP1NFE2L2BCAT2PDK2CSNK1A1 | |
| SCHEMBL27710601 | 0.79 | KEAP1 (0.49) | KEAP1NFE2L2BCAT2PDK2METAP2 | |
| SCHEMBL27675448 | 0.78 | METAP2 (0.58) | KEAP1NFE2L2BCAT2METAP2KDM4E | |
| SCHEMBL700922 | 0.78 | METAP2 (0.58) | KEAP1NFE2L2BCAT2METAP2KDM4E | |
| SCHEMBL210767 | 0.77 | BCAT2 (0.74) | KEAP1NFE2L2BCAT2PDK2CSNK1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011056985-A2 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2011-05-12 | — | — | WO | disclosed |
| WO-2003076930-A1 | METHOD FOR CHARACTERIZING METABOLITES USING HYDROGEN/DEUTERIUM EXCHANGE | WARNER-LAMBERT COMPANY LLC (US) | 2003-09-18 | — | — | WO | disclosed |
| US-20030175979-A1 | System and method for characterizing metabolites using hydrogen/deuterium exchange | LAM WING WAH (US) | 2003-09-18 | — | — | US | disclosed |
| EP-1345028-A1 | Method for charcterizing metabolites using hydrogen/deuterium exchange | Warner-Lambert Company LLC (US) | 2003-09-17 | — | — | EP | disclosed |