Known targets — ChEMBL curated mechanism
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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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 6/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MC4R | P32245 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | MC3R | P41968 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | PDE2A | O00408 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PLK1 | P53350 | 1/20 | 0.38 |
| ▸ | SCN3A | Q9NY46 | 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 SCHEMBL28093929 | 0.92 | ADORA3 (0.42) | P2RX7ADORA3TSHRMC4RADRA1A | |
| Pyrazinamide SCHEMBL28833282 | 0.89 | SCN3A (0.44) | ADORA3TSHRMC4RADRA1AMC3R | |
| SCHEMBL27913628 | 0.85 | P2RX7 (0.45) | P2RX7CACNA1HNAMPTKCNH2PDE2A | |
| Pyrazinamide SCHEMBL28093530 | 0.85 | ADORA3 (0.45) | P2RX7ADORA3TSHRMC4RADRA1A | |
| Pyrazinamide SCHEMBL28094033 | 0.82 | VNN1 (0.48) | P2RX7ADORA3TSHRMC4RADRA1A | |
| SCHEMBL28093971 | 0.80 | P2RX7 (0.43) | P2RX7CACNA1HKCNH2PDE2AEPHX2 | |
| Pyrazinamide SCHEMBL28093966 | 0.80 | RAB9A (0.47) | ADORA3TSHRMC4RADRA1AMC3R | |
| Pyrazinamide SCHEMBL28093440 | 0.80 | POLB (0.43) | ADORA3TSHRMC4RADRA1AMC3R | |
| SCHEMBL15432477 | 0.80 | PDE2A (0.48) | P2RX7CACNA1HPDE2AEPHX2KMT2A | |
| Pyrazinamide SCHEMBL28093431 | 0.78 | KDM4E (0.41) | 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 |