Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 2/20 | 0.32 |
| ▸ | RAD52 | P43351 | 2/20 | 0.31 |
| ▸ | HTR2B | P41595 | 2/20 | 0.31 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.31 |
| ▸ | MPO | P05164 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | RET | P07949 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10677990 | 0.79 | TAAR1 (0.50) | TAAR1 | |
| SCHEMBL294823 | 0.72 | PTGS1 (0.41) | PTGS1PTGS2CYP1A2CYP2D6THPO | |
| SCHEMBL28461869 | 0.71 | PTGS1 (0.38) | PTGS1PTGS2 | |
| SCHEMBL10682038 | 0.71 | NFE2L2 (0.49) | HTR2BTP53CYP2D6TSHRSLC6A2 | |
| SCHEMBL27576544 | 0.71 | CACNA1B (0.44) | TAAR1CACNA1B | |
| SCHEMBL10683507 | 0.70 | TAAR1 (0.46) | TAAR1HTR1AHTR2BTP53CYP1A2 | |
| SCHEMBL28054535 | 0.69 | NFE2L2 (0.42) | TAAR1RAD52HTR2BMPOSLC6A4 | |
| SCHEMBL554549 | 0.67 | BCL2L1 (0.55) | PTGS1HTR1ABCL2L1TP53CYP1A2 | |
| SCHEMBL27827550 | 0.67 | CYP2A6 (0.54) | PTGS1TP53ALOX15TSHR | |
| SCHEMBL27943446 | 0.66 | PTGS1 (0.40) | PTGS1PTGS2 |
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 |