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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | MC4R | P32245 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | MC3R | P41968 | 1/20 | 0.45 |
| ▸ | JAK3 | P52333 | 2/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | JAK1 | P23458 | 1/20 | 0.44 |
| ▸ | P4HB | P07237 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ANO1 | Q5XXA6 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | VNN1 | O95497 | 1/20 | 0.37 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 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 SCHEMBL28093508 | 0.88 | ADORA3 (0.44) | TSHRADORA3MC4RADRA1AMC3R | |
| Pyrazinamide SCHEMBL28093966 | 0.85 | RAB9A (0.47) | TSHRADORA3MC4RADRA1AMC3R | |
| SCHEMBL27913547 | 0.84 | JAK2 (0.42) | JAK3JAK2JAK1KMT2AANO1 | |
| Pyrazinamide SCHEMBL28094033 | 0.81 | VNN1 (0.48) | TSHRADORA3MC4RADRA1AMC3R | |
| Pyrazinamide SCHEMBL28094029 | 0.80 | TSHR (0.46) | TSHRADORA3MC4RADRA1AMC3R | |
| Pyrazinamide SCHEMBL28093629 | 0.79 | TSHR (0.43) | TSHRADORA3MC4RADRA1AMC3R | |
| SCHEMBL28093750 | 0.79 | JAK2 (0.40) | JAK3JAK2JAK1ANO1GAA | |
| Pyrazinamide SCHEMBL28093544 | 0.79 | CD38 (0.45) | TSHRADORA3MC4RADRA1AMC3R | |
| Pyrazinamide SCHEMBL28093530 | 0.79 | ADORA3 (0.45) | TSHRADORA3MC4RADRA1AMC3R | |
| SCHEMBL15432483 | 0.79 | IDO1 (0.54) | KMT2APOLBANO1IDO1DDR1 |
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 |