Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.46 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.44 |
| ▸ | GRM5 | P41594 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.41 |
| ▸ | NCOA1 | Q15788 | 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 | |
|---|---|---|---|---|
| SCHEMBL26608357 | 0.86 | HTT (0.48) | SQOREGFRERBB2MRGPRX4GRM5 | |
| SCHEMBL26633118 | 0.80 | SQOR (0.53) | SQORCNR1L3MBTL1XDH | |
| SCHEMBL31328995 | 0.79 | NPC1 (0.49) | SQOREGFRERBB2MRGPRX4NPC1 | |
| SCHEMBL17494990 | 0.75 | RHEB (0.46) | MRGPRX4NPC1RAB9AHTTSTAT3 | |
| SCHEMBL30572982 | 0.75 | XDH (0.41) | SQOREGFRERBB2GRM5RAB9A | |
| SCHEMBL26607255 | 0.75 | MAOB (0.48) | MRGPRX4GRM5MAOB | |
| SCHEMBL26606918 | 0.75 | XDH (0.41) | SQOREGFRERBB2GRM5RAB9A | |
| SCHEMBL26607247 | 0.75 | DCPS (0.45) | GRM5MAOBCNR1HTTSTAT3 | |
| SCHEMBL26615780 | 0.75 | MAOB (0.44) | SQOREGFRERBB2GRM5NPC1 | |
| SCHEMBL17495074 | 0.74 | RAB9A (0.52) | EGFRNPC1RAB9AMAOBHTT |
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-116171276-A | 3- ((1H-pyrazol-4-yl) methyl) -6'- (phenyl) -2H- [1,2' -bipyridin ] -2-one derivatives and related compounds as GRP139 antagonists in methods of treating E.G. depression | 武田药品工业株式会社 | 2023-05-26 | — | — | CN | disclosed |