Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | ANPEP | P15144 | 1/20 | 0.44 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.39 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.39 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.39 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.39 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.39 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.37 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | TOP2A | P11388 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4602531 | 0.87 | MAOA (0.53) | CYP2C9CYP2C19MAOAMAOBPAOX | |
| Hydrochloric Acid SCHEMBL4913278 | 0.85 | MAOA (0.52) | CYP2C9CYP2C19MAOAMAOBPAOX | |
| SCHEMBL23936912 | 0.80 | CYP2C9 (0.52) | CYP2C9CYP2C19ANPEPPRMT3CARM1 | |
| SCHEMBL27293107 | 0.79 | PAOX (0.47) | CYP2C9CYP2C19ANPEPPRMT3CARM1 | |
| SCHEMBL2507441 | 0.79 | CYP2C9 (0.44) | CYP2C9CYP2C19ANPEPPRMT3CARM1 | |
| SCHEMBL20914942 | 0.78 | MAOA (0.44) | CYP2C19MAOAMAOBPAOXALDH1A1 | |
| SCHEMBL7887973 | 0.78 | PRMT3 (0.58) | CYP2C9CYP2C19MAOAMAOBANPEP | |
| SCHEMBL27293082 | 0.77 | CYP2C9 (0.43) | CYP2C9CYP2C19ANPEPPRMT3CARM1 | |
| SCHEMBL5233047 | 0.77 | MAOA (0.61) | CYP2C9CYP2C19MAOAMAOBALDH1A1 | |
| SCHEMBL1844564 | 0.76 | PRMT3 (0.42) | CYP2C9CYP2C19ANPEPPRMT3CARM1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112107568-B | Diaryl amide compound and application thereof | 北京龙嘉博创医药科技有限公司 | 2022-03-25 | — | — | CN | claimed |
| EP-4288416-A2 | SMALL MOLECULE INHIBITORS OF GRP78 AND USES THEREOF | The Regents Of The University Of Michigan (US) | 2023-12-13 | — | — | EP | disclosed |
| WO-2022169834-A2 | SMALL MOLECULE INHIBITORS OF GRP78 AND USES THEREOF | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2022-08-11 | — | — | WO | disclosed |