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 | 0.75 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.75 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.75 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.75 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.75 |
| ▸ | MPO | P05164 | 2/20 | 0.75 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.75 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.75 |
| ▸ | PLOD2 | O00469 | 2/20 | 0.54 |
| ▸ | PLOD3 | O60568 | 2/20 | 0.54 |
| ▸ | PLOD1 | Q02809 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
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 SCHEMBL12264083 | 0.87 | KDM4E (1.00) | KDM4ECYP3A4CYP1A2CYP2D6CYP2C19 | |
| Isoniazid SCHEMBL12264078 | 0.87 | KDM4E (1.00) | KDM4ECYP3A4CYP1A2CYP2D6CYP2C19 | |
| Isoniazid SCHEMBL2072618 | 0.87 | KDM4E (1.00) | KDM4ECYP3A4CYP1A2CYP2D6CYP2C19 | |
| Isoniazid SCHEMBL12264081 | 0.87 | KDM4E (1.00) | KDM4ECYP3A4CYP1A2CYP2D6CYP2C19 | |
| Isoniazid SCHEMBL16642160 | 0.87 | KDM4E (1.00) | KDM4ECYP3A4CYP1A2CYP2D6CYP2C19 | |
| Isoniazid SCHEMBL2390873 | 0.87 | KDM4E (1.00) | KDM4ECYP3A4CYP1A2CYP2D6CYP2C19 | |
| Isoniazid SCHEMBL16642161 | 0.87 | KDM4E (1.00) | KDM4ECYP3A4CYP1A2CYP2D6CYP2C19 | |
| Isoniazid SCHEMBL228 | 0.87 | KDM4E (1.00) | KDM4ECYP3A4CYP1A2CYP2D6CYP2C19 | |
| Isoniazid SCHEMBL4440408 | 0.85 | KDM4E (0.95) | KDM4ECYP3A4CYP1A2CYP2D6CYP2C19 | |
| Isoniazid SCHEMBL20958129 | 0.85 | 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 |
|---|---|---|---|---|---|---|---|
| US-20040110730-A1 | Hydrazine-based and carbonyl-based bifunctional crosslinking reagents | AUDAX PRIVATE DEBT LLC, AS AGENT | 2004-06-10 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040110730-A1 | Hydrazine-based and carbonyl-based bifunctional crosslinking reagents | HLCS, DUOX1, HAO2 | KDM4E 1647/4885CYP3A4 573/4885CYP1A2 534/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.