Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.58 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 4/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | NAAA | Q02083 | 2/20 | 0.50 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL197183 | 1.00 | KEAP1 (0.58) | KEAP1NFE2L2LMNAMAPK1NAAA | |
| SCHEMBL8974575 | 0.86 | MEN1 (0.64) | KEAP1NFE2L2LMNAMAPK1HPGD | |
| SCHEMBL28408400 | 0.86 | MEN1 (0.64) | KEAP1NFE2L2LMNAMAPK1HPGD | |
| SCHEMBL15743807 | 0.83 | KEAP1 (0.54) | KEAP1NFE2L2LMNAMAPK1NAAA | |
| SCHEMBL27896435 | 0.82 | KEAP1 (0.52) | KEAP1NFE2L2LMNAMAPK1NAAA | |
| SCHEMBL27478055 | 0.82 | KEAP1 (0.52) | KEAP1NFE2L2LMNAMAPK1NAAA | |
| SCHEMBL5843204 | 0.82 | KEAP1 (0.52) | KEAP1NFE2L2LMNAMAPK1NAAA | |
| SCHEMBL5843192 | 0.82 | KEAP1 (0.52) | KEAP1NFE2L2LMNAMAPK1NAAA | |
| SCHEMBL24757742 | 0.82 | HDAC3 (0.61) | LMNAMEN1KMT2AALDH1A1GAA | |
| SCHEMBL18885406 | 0.82 | GPR88 (0.53) | LMNAMEN1KMT2ATHRBALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112142663-B | Synthesis method of (S) -1-phenyl-1, 2,3, 4-tetrahydroisoquinoline | 中山奕安泰医药科技有限公司 | 2022-03-22 | — | — | CN | disclosed |
| CN-112250533-B | Synthesis method of (S) -1- (3-ethoxy-4-methoxyphenyl) -2- (methylsulfonyl) ethylamine | 中山奕安泰医药科技有限公司 | 2022-03-22 | — | — | CN | disclosed |
| CN-112250533-A | Synthesis method of (S) -1- (3-ethoxy-4-methoxyphenyl) -2- (methylsulfonyl) ethylamine | 中山奕安泰医药科技有限公司 | 2021-01-22 | — | — | CN | disclosed |
| CN-112142663-A | Synthesis method of (S) -1-phenyl-1, 2,3, 4-tetrahydroisoquinoline | 中山奕安泰医药科技有限公司 | 2020-12-29 | — | — | CN | disclosed |
| EP-2402322-A1 | 1,2,3,4-tetrahydroisoquinoline derivative and its use as orexin receptor antagonist | Actelion Pharmaceuticals Ltd. (CH) | 2012-01-04 | — | — | EP | disclosed |