Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
The experimentally established mechanism targets of Pyrazinoic Acid. 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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.61 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.61 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.61 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | MC4R | P32245 | 1/20 | 0.59 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.59 |
| ▸ | MC3R | P41968 | 1/20 | 0.59 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Pyrazinoic Acid SCHEMBL2158528 | 0.95 | KDM4E (0.61) | KDM4ENAPRTHCAR2ADORA3TSHR | |
| Pyrazinoic Acid SCHEMBL11128823 | 0.95 | KDM4E (0.61) | KDM4ENAPRTHCAR2ADORA3TSHR | |
| Pyrazinoic Acid SCHEMBL8626539 | 0.95 | KDM4E (0.61) | KDM4ENAPRTHCAR2ADORA3TSHR | |
| Pyrazinoic Acid SCHEMBL970038 | 0.95 | KDM4E (0.61) | KDM4ENAPRTHCAR2ADORA3TSHR | |
| SCHEMBL7618500 | 0.78 | KDM4E (0.70) | KDM4ENAPRTHCAR2ADORA3TSHR | |
| SCHEMBL3186159 | 0.78 | KDM4E (0.70) | KDM4ENAPRTHCAR2ADORA3TSHR | |
| Pyrazinamide SCHEMBL30205948 | 0.77 | ADORA3 (0.84) | KDM4ENAPRTHCAR2ADORA3TSHR | |
| Pyrazinamide SCHEMBL28919855 | 0.77 | ADORA3 (0.84) | KDM4ENAPRTHCAR2ADORA3TSHR | |
| Pyrazinamide SCHEMBL28169840 | 0.77 | ADORA3 (0.84) | KDM4ENAPRTHCAR2ADORA3TSHR | |
| SCHEMBL2536804 | 0.76 | — | — |
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-110809577-A | Modulators of adenosine A2A receptor | 雷沃医疗有限公司 | 2020-02-18 | — | — | CN | disclosed |