Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP1 | P22413 | 2/20 | 0.48 |
| ▸ | ESR1 | P03372 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | TOP1 | P11387 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 1/20 | 0.43 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.42 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28244732 | 0.82 | GAA (0.46) | KDM4EGAAMAPT | |
| SCHEMBL28038375 | 0.77 | MAPT (0.58) | ESR1GAAMAPTNPSR1ESR2 | |
| SCHEMBL7761646 | 0.77 | ENPP1 (0.51) | ENPP1ESR1POLBKDM4EGAA | |
| SCHEMBL16632042 | 0.77 | ENPP1 (0.67) | ENPP1ESR1POLBKDM4EMAPT | |
| SCHEMBL13758058 | 0.75 | PDE10A (0.60) | ESR1GAAMAPTNPSR1ESR2 | |
| SCHEMBL28878936 | 0.74 | GAA (0.63) | POLBGAAMAPTNPSR1SMN1; SMN2 | |
| SCHEMBL4263725 | 0.74 | MAPT (0.47) | ESR1POLBKDM4EGAAMAPT | |
| SCHEMBL29188718 | 0.73 | DHODH (0.43) | ENPP1POLBKDM4EGAAMAPT | |
| SCHEMBL28199808 | 0.72 | GAA (0.50) | KDM4EGAAMAPTNPSR1 | |
| SCHEMBL29514776 | 0.71 | ESR1 (0.73) | ESR1POLBKDM4EGAAMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104817496-B | A kind of 1,2,3,4 tetrahydroquinoline derivatives and preparation method thereof | 中国科学院化学研究所 | 2017-06-16 | — | — | CN | disclosed |
| CN-104817496-A | 1, 2, 3, 4-tetrahydroquinoline derivative and method for preparing same | CHINESE ACAD INST CHEMISTRY | 2015-08-05 | — | — | CN | disclosed |