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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | MC4R | P32245 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | MC3R | P41968 | 1/20 | 0.46 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | JAK3 | P52333 | 1/20 | 0.43 |
| ▸ | VNN1 | O95497 | 4/20 | 0.41 |
| ▸ | USP2 | O75604 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | GPR52 | Q9Y2T5 | 4/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | P4HB | P07237 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27931753 | 0.82 | VNN1 (0.50) | JAK2JAK3VNN1CYP3A4KMT2A | |
| Pyrazinamide SCHEMBL28094033 | 0.80 | VNN1 (0.48) | TSHRADORA3MC4RADRA1AMC3R | |
| Pyrazinamide SCHEMBL28093530 | 0.80 | ADORA3 (0.45) | TSHRADORA3MC4RADRA1AMC3R | |
| Pyrazinamide SCHEMBL28093993 | 0.80 | TSHR (0.45) | TSHRADORA3MC4RADRA1AMC3R | |
| SCHEMBL15432482 | 0.78 | CYP3A4 (0.41) | TSHRVNN1CYP3A4ALDH1A1 | |
| SCHEMBL28094014 | 0.77 | VNN1 (0.45) | TSHRJAK2JAK3VNN1CYP3A4 | |
| Pyrazinamide SCHEMBL28093953 | 0.77 | MEN1 (0.49) | TSHRADORA3MC4RADRA1AMC3R | |
| Pyrazinamide SCHEMBL28093508 | 0.77 | ADORA3 (0.44) | TSHRADORA3MC4RADRA1AMC3R | |
| Pyrazinamide SCHEMBL28833290 | 0.75 | P2RX7 (0.43) | TSHRADORA3MC4RADRA1AMC3R | |
| Pyrazinamide SCHEMBL28093539 | 0.75 | ADORA3 (0.42) | TSHRADORA3MC4RADRA1AMC3R |
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 |