Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.57 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.57 |
| ▸ | MT-CO2 | P00403 | 6/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | PGR | P06401 | 2/20 | 0.55 |
| ▸ | AR | P10275 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | TTR | P02766 | 1/20 | 0.55 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | HTR1A | P08908 | 1/20 | 0.55 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | HTR2A | P28223 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL12990378 | 0.88 | KEAP1 (0.67) | PTGS2PTGS1MT-CO2MAPTPGR | |
| SCHEMBL30462451 | 0.81 | KEAP1 (0.54) | PTGS2PTGS1MAPTKEAP1NFE2L2 | |
| SCHEMBL28560348 | 0.81 | KEAP1 (0.54) | PTGS2PTGS1MAPTKEAP1NFE2L2 | |
| SCHEMBL28912995 | 0.80 | DHODH (0.61) | PTGS2PTGS1MT-CO2MAPTMEN1 | |
| SCHEMBL2318350 | 0.79 | PTGS1 (0.61) | PTGS2PTGS1PGRARMEN1 | |
| SCHEMBL2068498 | 0.76 | KEAP1 (0.65) | PTGS2PTGS1PGRARHPGD | |
| SCHEMBL29904739 | 0.76 | KEAP1 (0.65) | PTGS2PTGS1PGRARHPGD | |
| SCHEMBL11407816 | 0.75 | RAPGEF4 (0.61) | PTGS2PTGS1MT-CO2MAPTPGR | |
| SCHEMBL11238658 | 0.75 | KEAP1 (0.53) | PTGS2PTGS1MAPTPGRAR | |
| SCHEMBL2642079 | 0.74 | KEAP1 (0.52) | PTGS2PTGS1MAPTPGRAR |
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-112745237-B | 2-arylamine compound and preparation method and application thereof | 中国科学院上海药物研究所 | 2023-06-20 | — | — | CN | disclosed |
| CN-112745237-A | 2-arylamine compound and preparation method and application thereof | 中国科学院上海药物研究所 | 2021-05-04 | — | — | CN | disclosed |