Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.60 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.53 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 7/20 | 0.51 |
| ▸ | MGAM | O43451 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL24805134 | 0.87 | HTT (0.50) | HTTHPGDPTGS1PTGS2ALDH1A1 | |
| Prenylhydroquinone SCHEMBL7036748 | 0.81 | HTT (0.64) | HTTHPGDPTGS1PTGS2ALDH1A1 | |
| SCHEMBL10909378 | 0.79 | HTT (0.62) | HTTHPGDPTGS1PTGS2ALDH1A1 | |
| SCHEMBL10907779 | 0.79 | HTT (0.62) | HTTHPGDPTGS1PTGS2ALDH1A1 | |
| SCHEMBL23027375 | 0.79 | CYP19A1 (0.47) | HPGDPTGS2ALDH1A1MEN1KMT2A | |
| SCHEMBL14139155 | 0.78 | HTT (0.60) | HTTHPGDPTGS1PTGS2ALDH1A1 | |
| SCHEMBL10908436 | 0.78 | HTT (0.60) | HTTHPGDPTGS1PTGS2ALDH1A1 | |
| SCHEMBL20472168 | 0.78 | HTT (0.60) | HTTHPGDPTGS1PTGS2ALDH1A1 | |
| SCHEMBL2445931 | 0.77 | GABRA1 (0.66) | HTTHPGDPTGS1ALDH1A1MEN1 | |
| SCHEMBL1516538 | 0.77 | GABRA1 (0.41) | HTTHPGDPTGS1ALDH1A1AKR1B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021032074-A1 | BENZAMIDE FUSED AROMATIC RING DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE | 江苏恒瑞医药股份有限公司 | 2021-02-25 | — | — | WO | disclosed |