Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.65 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.60 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.60 |
| ▸ | PDE4A | P27815 | 1/20 | 0.53 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.53 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.53 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 4/20 | 0.47 |
| ▸ | MAOB | P27338 | 4/20 | 0.47 |
| ▸ | NR2E1 | Q9Y466 | 2/20 | 0.47 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4666728 | 0.89 | CYP3A4 (0.56) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL19272800 | 0.89 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL4668245 | 0.89 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL12988609 | 0.89 | CYP3A4 (0.56) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL2283022 | 0.89 | CYP2E1 (0.65) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| Hydrochloric Acid SCHEMBL21412170 | 0.88 | CYP3A4 (0.54) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL22199024 | 0.87 | CYP2E1 (0.62) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL14704038 | 0.86 | CYP1A2 (0.66) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL270618 | 0.86 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL10280811 | 0.86 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 |
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-104031076-B | A kind of two imidazoles nitrogen ligand regulation and control 1,3,5-trimesic acid Zn complex and preparation method thereof | HENGYANG NORMAL UNIVERSITY (CN) | 2016-01-06 | — | — | CN | claimed |
| CN-104031076-A | Diimidazole nitrogen ligand-controlled 1,3,5-trimesic acid zinc complex and preparation method thereof | UNIV HENGYANG NORMAL | 2014-09-10 | — | — | CN | claimed |
| CN-104031076-B | A kind of two imidazoles nitrogen ligand regulation and control 1,3,5-trimesic acid Zn complex and preparation method thereof | HENGYANG NORMAL UNIVERSITY (CN) | 2016-01-06 | — | — | CN | disclosed |
| CN-104031076-A | Diimidazole nitrogen ligand-controlled 1,3,5-trimesic acid zinc complex and preparation method thereof | UNIV HENGYANG NORMAL | 2014-09-10 | — | — | CN | disclosed |
| CN-104031076-A | Diimidazole nitrogen ligand-controlled 1,3,5-trimesic acid zinc complex and preparation method thereof | UNIV HENGYANG NORMAL | 2014-09-10 | — | — | CN | disclosed |