Known targets — ChEMBL curated mechanism
fasrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmB1rpmB2rpmCrpmDrpmErpmFrpmG1rpmG2rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsR1rpsR2rpsSrpsTrpsZ
The experimentally established mechanism targets of Pyrazinamide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MC4R | P32245 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | MC3R | P41968 | 1/20 | 0.45 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.44 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.44 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.42 |
| ▸ | VNN1 | O95497 | 3/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Pyrazinamide SCHEMBL28094033 | 0.92 | VNN1 (0.48) | ADORA3TSHRMC4RADRA1AMC3R | |
| Pyrazinamide SCHEMBL28093953 | 0.86 | MEN1 (0.49) | ADORA3TSHRMC4RADRA1AMC3R | |
| Pyrazinamide SCHEMBL28833290 | 0.85 | P2RX7 (0.43) | ADORA3TSHRMC4RADRA1AMC3R | |
| SCHEMBL27931776 | 0.84 | VNN1 (0.46) | HCRTR1HCRTR2VNN1P2RX7RPS6KB1 | |
| Pyrazinamide SCHEMBL28093929 | 0.82 | ADORA3 (0.42) | ADORA3TSHRMC4RADRA1AMC3R | |
| Pyrazinamide SCHEMBL28094029 | 0.80 | TSHR (0.46) | ADORA3TSHRMC4RADRA1AMC3R | |
| Pyrazinamide SCHEMBL28093993 | 0.79 | TSHR (0.45) | ADORA3TSHRMC4RADRA1AMC3R | |
| Pyrazinamide SCHEMBL28093544 | 0.79 | CD38 (0.45) | ADORA3TSHRMC4RADRA1AMC3R | |
| Pyrazinamide SCHEMBL28833282 | 0.78 | SCN3A (0.44) | ADORA3TSHRMC4RADRA1AMC3R | |
| Pyrazinamide SCHEMBL28093539 | 0.76 | ADORA3 (0.42) | ADORA3TSHRMC4RADRA1AMC3R |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106478497-A | Aryl amine derivatives as TTX S blocker | 拉夸里亚创药株式会社 | 2017-03-08 | — | — | CN | claimed |
| CN-106478497-A | Aryl amine derivatives as TTX S blocker | 拉夸里亚创药株式会社 | 2017-03-08 | — | — | CN | disclosed |
| CN-103249721-B | Arylamine Derivatives as TTX-S Blockers | 拉夸里亚创药株式会社 | 2016-10-12 | — | — | CN | disclosed |