Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Isoniazid. 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 | 3/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.68 |
| ▸ | MPO | P05164 | 2/20 | 0.68 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.68 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.42 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Isoniazid SCHEMBL228 | 0.82 | KDM4E (1.00) | KDM4ECYP3A4CYP1A2CYP2D6CYP2C19 | |
| Isoniazid SCHEMBL12264078 | 0.82 | KDM4E (1.00) | KDM4ECYP3A4CYP1A2CYP2D6CYP2C19 | |
| Isoniazid SCHEMBL16642160 | 0.82 | KDM4E (1.00) | KDM4ECYP3A4CYP1A2CYP2D6CYP2C19 | |
| Isoniazid SCHEMBL12264081 | 0.82 | KDM4E (1.00) | KDM4ECYP3A4CYP1A2CYP2D6CYP2C19 | |
| Isoniazid SCHEMBL12264083 | 0.82 | KDM4E (1.00) | KDM4ECYP3A4CYP1A2CYP2D6CYP2C19 | |
| Isoniazid SCHEMBL2390873 | 0.82 | KDM4E (1.00) | KDM4ECYP3A4CYP1A2CYP2D6CYP2C19 | |
| Isoniazid SCHEMBL2072618 | 0.82 | KDM4E (1.00) | KDM4ECYP3A4CYP1A2CYP2D6CYP2C19 | |
| Isoniazid SCHEMBL16642161 | 0.82 | KDM4E (1.00) | KDM4ECYP3A4CYP1A2CYP2D6CYP2C19 | |
| Pyrazole SCHEMBL3228113 | 0.81 | CYP17A1 (0.44) | KDM4ECYP3A4CYP1A2CYP2D6CYP2C19 | |
| Isoniazid SCHEMBL2993076 | 0.80 | KDM4E (0.95) | KDM4ECYP3A4CYP1A2CYP2D6CYP2C19 |
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-104557919-B | The pyrazoles al isoniazid hydrazone that 7-(piperazine replaces) fluoronaphthalene pyridine keto carboxylic acid derivatives and its preparation method and application | 河南大学 | 2016-06-29 | — | — | CN | disclosed |