Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 2/20 | 0.49 |
| ▸ | CASP1 | P29466 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | NAMPT | P43490 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.45 |
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL671045 | 0.77 | MEN1 (0.49) | USP2CASP1MEN1ESR1CYP1A2 | |
| SCHEMBL4232383 | 0.75 | CA2 (0.59) | MEN1KMT2ADAOKDM4EALDH1A1 | |
| SCHEMBL4556009 | 0.75 | DAO (0.51) | MEN1KMT2ANAMPTDAOKDM4E | |
| SCHEMBL25119606 | 0.75 | DAO (0.47) | MEN1KMT2ADAOKDM4EALDH1A1 | |
| SCHEMBL2113960 | 0.75 | DAO (0.47) | MEN1KMT2ADAOKDM4EALDH1A1 | |
| SCHEMBL28921496 | 0.73 | MAPT (0.44) | CASP1MEN1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL18685613 | 0.71 | KMT2A (0.46) | MEN1KMT2ANAMPTDAOKDM4E | |
| SCHEMBL19559022 | 0.71 | KMT2A (0.46) | MEN1KMT2ADAOKDM4EALDH1A1 | |
| SCHEMBL28414053 | 0.71 | NOD1 (0.61) | USP2CASP1MEN1ESR1CYP1A2 | |
| SCHEMBL22726952 | 0.70 | KMT2A (0.44) | USP2CASP1MEN1ESR1CYP1A2 |
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-117603139-A | Preparation method of 1- (hetero) aryl-2- (sulfonyl) -1,2,3,4 tetrahydroisoquinoline compound | 遵义医科大学 | 2024-02-27 | — | — | CN | disclosed |