Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.53 |
| ▸ | ACP3 | P15309 | 2/20 | 0.49 |
| ▸ | PNMT | P11086 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | TDO2 | P48775 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7436009 | 0.86 | CES2 (0.55) | CES2ACP3PNMTIDO1TDO2 | |
| SCHEMBL30015679 | 0.86 | CES2 (0.55) | CES2ACP3PNMTIDO1TDO2 | |
| SCHEMBL330908 | 0.83 | CES2 (0.53) | CES2ACP3PNMTIDO1TDO2 | |
| SCHEMBL7469419 | 0.83 | PNMT (0.53) | CES2ACP3PNMTIDO1TDO2 | |
| SCHEMBL15019058 | 0.83 | CES2 (0.55) | CES2ACP3PNMTIDO1TDO2 | |
| SCHEMBL1133391 | 0.81 | CES2 (0.54) | CES2ACP3PNMTIDO1TDO2 | |
| SCHEMBL14161938 | 0.81 | CES2 (0.50) | CES2ACP3PNMTIDO1TDO2 | |
| SCHEMBL30523034 | 0.80 | CES2 (0.49) | CES2ACP3PNMTIDO1TDO2 | |
| SCHEMBL14176566 | 0.80 | CES2 (0.49) | CES2ACP3PNMTNPSR1MEN1 | |
| SCHEMBL1760926 | 0.80 | CES2 (0.49) | CES2ACP3PNMTIDO1TDO2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116715634-A | Compound, pharmaceutical composition and application thereof in preparation of vasodilation drugs | 山东第一医科大学(山东省医学科学院) | 2023-09-08 | — | — | CN | disclosed |