Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 2/20 | 0.52 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | TOP1 | P11387 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | PRNP | P04156 | 2/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.45 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.44 |
| ▸ | TNKS | O95271 | 1/20 | 0.43 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL13758058 | 0.90 | PDE10A (0.60) | DHODHPDE10ATSHRTDP1TOP1 | |
| SCHEMBL28159695 | 0.87 | TDP1 (0.66) | DHODHPDE10ATSHRTDP1TOP1 | |
| SCHEMBL18804452 | 0.85 | DHODH (0.45) | DHODHPDE10ATSHRTDP1RXFP1 | |
| SCHEMBL28027245 | 0.85 | PRNP (0.46) | DHODHPDE10ATSHRLMNAPRNP | |
| SCHEMBL28027828 | 0.84 | KDM4E (0.62) | DHODHPDE10ATSHRTDP1TOP1 | |
| SCHEMBL28027826 | 0.84 | KDM4E (0.62) | DHODHPDE10ATSHRTDP1TOP1 | |
| SCHEMBL28027827 | 0.84 | ADORA2A (0.53) | DHODHPDE10ATSHRTDP1TOP1 | |
| SCHEMBL28160154 | 0.82 | ALDH1A1 (0.67) | DHODHPDE10ATSHRTDP1LMNA | |
| SCHEMBL28027282 | 0.81 | DHODH (0.49) | DHODHPDE10ATSHRTDP1TOP1 | |
| SCHEMBL29488292 | 0.79 | ESR1 (0.56) | TDP1RXFP1CYP1A1CYP1B1CYP1A2 |
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 |