Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.87 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.87 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.87 |
| ▸ | TSHR | P16473 | 2/20 | 0.63 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.63 |
| ▸ | MC4R | P32245 | 1/20 | 0.63 |
| ▸ | MC3R | P41968 | 1/20 | 0.63 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 SCHEMBL27366676 | 0.96 | KDM4E (0.95) | KDM4ENAPRTHCAR2TSHRADORA3 | |
| Pyrazinoic Acid SCHEMBL28046860 | 0.96 | KDM4E (0.95) | KDM4ENAPRTHCAR2TSHRADORA3 | |
| Pyrazinoic Acid SCHEMBL9478203 | 0.96 | KDM4E (0.95) | KDM4ENAPRTHCAR2TSHRADORA3 | |
| Pyrazinoic Acid SCHEMBL10349317 | 0.96 | KDM4E (0.95) | KDM4ENAPRTHCAR2TSHRADORA3 | |
| Pyrazinoic Acid SCHEMBL8341710 | 0.96 | KDM4E (0.95) | KDM4ENAPRTHCAR2TSHRADORA3 | |
| Pyrazinoic Acid SCHEMBL8335237 | 0.96 | KDM4E (0.95) | KDM4ENAPRTHCAR2TSHRADORA3 | |
| Pyrazinoic Acid SCHEMBL28289089 | 0.93 | KDM4E (0.91) | KDM4ENAPRTHCAR2TSHRADORA3 | |
| Pyrazinoic Acid SCHEMBL29651929 | 0.93 | — | — | |
| Pyrazinoic Acid SCHEMBL23757 | 0.93 | — | — | |
| Pyrazinoic Acid SCHEMBL28292274 | 0.91 | KDM4E (0.87) | KDM4ENAPRTHCAR2TSHRADORA3 |
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-105358151-B | For treating the compound of Duchenne-Arandisease | 豪夫迈·罗氏有限公司 | 2019-04-12 | — | — | CN | disclosed |