Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | DHODH | Q02127 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL13758058 | 0.87 | PDE10A (0.60) | TSHRPDE10ANPSR1SMN1; SMN2DHODH | |
| SCHEMBL28027244 | 0.85 | PTGS1 (0.54) | NR1I3TSHRPDE10AHTTKDM4E | |
| SCHEMBL28027245 | 0.85 | PRNP (0.46) | KMT2ATSHRALDH1A1PDE10AHTT | |
| SCHEMBL18503937 | 0.84 | KMT2A (0.50) | KMT2ANR1I3NPC1RAB9ATSHR | |
| SCHEMBL28159695 | 0.84 | TDP1 (0.66) | RAB9ATSHRALDH1A1PDE10AKDM4E | |
| SCHEMBL21158724 | 0.82 | KMT2A (0.54) | KMT2ANR1I3NPC1RAB9ATSHR | |
| SCHEMBL602106 | 0.82 | KMT2A (0.56) | KMT2ANR1I3NPC1RAB9ATSHR | |
| SCHEMBL29446786 | 0.82 | KMT2A (0.56) | KMT2ANR1I3NPC1RAB9ATSHR | |
| SCHEMBL28027249 | 0.81 | NOS3 (0.45) | TSHRPDE10ASMN1; SMN2DHODHESR1 | |
| SCHEMBL16202757 | 0.79 | L3MBTL1 (0.63) | KMT2ANR1I3NPC1RAB9ATSHR |
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-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 |