Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.45 |
| ▸ | NOS1 | P29475 | 1/20 | 0.45 |
| ▸ | NOS2 | P35228 | 1/20 | 0.45 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL28027282 | 0.89 | DHODH (0.49) | TLR8TSHRPDE10ADHODHSMN1; SMN2 | |
| SCHEMBL28159697 | 0.81 | KMT2A (0.50) | TSHRPDE10ADHODHESR1ESR2 | |
| SCHEMBL27651468 | 0.81 | ESR1 (0.51) | NOS3NOS1NOS2TLR8ESR1 | |
| SCHEMBL13758058 | 0.81 | PDE10A (0.60) | TSHRPDE10ADHODHESR1ESR2 | |
| SCHEMBL28027245 | 0.79 | PRNP (0.46) | TSHRPDE10ADHODHESR1ESR2 | |
| SCHEMBL28027244 | 0.79 | PTGS1 (0.54) | TSHRPDE10ADHODHESR1ESR2 | |
| SCHEMBL28027246 | 0.77 | DHODH (0.55) | DHODH | |
| SCHEMBL28159695 | 0.75 | TDP1 (0.66) | TSHRPDE10ADHODH | |
| SCHEMBL27651467 | 0.73 | TAAR1 (0.55) | TLR8TSHRESR1ESR2SMN1; SMN2 | |
| SCHEMBL28159698 | 0.73 | DHODH (0.52) | TSHRPDE10ADHODH |
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 |