Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.42 |
| ▸ | HTR2A | P28223 | 4/20 | 0.36 |
| ▸ | HTR2C | P28335 | 4/20 | 0.36 |
| ▸ | HTR2B | P41595 | 4/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.33 |
| ▸ | HTR1A | P08908 | 3/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.33 |
| ▸ | DRD2 | P14416 | 3/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.33 |
| ▸ | HRH1 | P35367 | 3/20 | 0.33 |
| ▸ | DRD3 | P35462 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | RET | P07949 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28054538 | 0.85 | TAAR1 (0.48) | TAAR1HTR2AHTR2CHTR2BSLC6A2 | |
| SCHEMBL8380098 | 0.79 | NFE2L2 (0.37) | CYP1A2NFE2L2PTGS2ALDH1A1 | |
| SCHEMBL3715365 | 0.77 | NFE2L2 (0.41) | CYP1A2NFE2L2ACHEPTGS2ALDH1A1 | |
| SCHEMBL28054535 | 0.71 | NFE2L2 (0.42) | TAAR1HTR2BSLC6A4NFE2L2 | |
| SCHEMBL16957751 | 0.70 | NFE2L2 (0.38) | NFE2L2PTGS2 | |
| SCHEMBL16958387 | 0.68 | NFE2L2 (0.37) | NFE2L2PTGS2 | |
| SCHEMBL16960264 | 0.68 | NFE2L2 (0.37) | SLC6A2SLC6A4NFE2L2PTGS2SLC6A3 | |
| SCHEMBL16951025 | 0.68 | PTGS2 (0.36) | NFE2L2PTGS2LMNA | |
| SCHEMBL27599938 | 0.68 | KDM4E (0.48) | HTR1ACYP1A2NFE2L2KMT2AMEN1 | |
| SCHEMBL1547721 | 0.68 | NFE2L2 (0.44) | NFE2L2ACHEPTGS2 |
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-105330595-A | Pyridine derivative and application thereof to mycobacterium resistance | NANJING MINGDE DRUG R & D CO LTD | 2016-02-17 | — | — | CN | disclosed |