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 | 4/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 3/20 | 1.00 |
| ▸ | MPO | P05164 | 2/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 2/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 2/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 2/20 | 1.00 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 1.00 |
| ▸ | CYP2A6 | P11509 | 1/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.67 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.58 |
| ▸ | KDM5A | P29375 | 1/20 | 0.58 |
| ▸ | BLM | P54132 | 1/20 | 0.58 |
| ▸ | GFER | P55789 | 1/20 | 0.58 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.56 |
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 SCHEMBL16642160 | 1.00 | KDM4E (1.00) | KDM4ECYP3A4MPOCYP1A2CYP2D6 | |
| Isoniazid SCHEMBL12264078 | 1.00 | KDM4E (1.00) | KDM4ECYP3A4MPOCYP1A2CYP2D6 | |
| Isoniazid SCHEMBL2072618 | 1.00 | KDM4E (1.00) | KDM4ECYP3A4MPOCYP1A2CYP2D6 | |
| Isoniazid SCHEMBL228 | 1.00 | KDM4E (1.00) | KDM4ECYP3A4MPOCYP1A2CYP2D6 | |
| Isoniazid SCHEMBL16642161 | 1.00 | KDM4E (1.00) | KDM4ECYP3A4MPOCYP1A2CYP2D6 | |
| Isoniazid SCHEMBL12264083 | 1.00 | KDM4E (1.00) | KDM4ECYP3A4MPOCYP1A2CYP2D6 | |
| Isoniazid SCHEMBL12264081 | 1.00 | KDM4E (1.00) | KDM4ECYP3A4MPOCYP1A2CYP2D6 | |
| Isoniazid SCHEMBL7502798 | 0.98 | KDM4E (0.95) | KDM4ECYP3A4MPOCYP1A2CYP2D6 | |
| Isoniazid SCHEMBL20958129 | 0.98 | KDM4E (0.95) | KDM4ECYP3A4MPOCYP1A2CYP2D6 | |
| Isoniazid SCHEMBL2993076 | 0.98 | KDM4E (0.95) | KDM4ECYP3A4MPOCYP1A2CYP2D6 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9579381-B2 | Magnetodynamic activation of 13 C-acyl isoniazid and isoniazid and ethionamide derivatives | STC.UNM (US) | 2017-02-28 | — | — | US | disclosed |
| US-20150246126-A1 | MAGNETODYNAMIC ACTIVATION OF 13C-ACYL ISONIAZID AND ISONIAZID AND ETHIONAMIDE DERIVATIVES | THE REGENTS OF THE UNIVERSITY OF NEW MEXICO | 2015-09-03 | — | — | US | disclosed |
| US-8921569-B2 | Rationally improved isoniazid and ethionamide derivatives and activity through selective isotopic substitution | STC.UNM (US) | 2014-12-30 | — | — | US | disclosed |
| WO-2014039829-A2 | MAGNETODYNAMIC ACTIVATION OF 13C-ACYL ISONIAZID AND ISONIAZID AND ETHIONAMIDE DERIVATIVES | STC. UNM (US) | 2014-03-13 | — | — | WO | disclosed |
| US-20130150415-A1 | RATIONALLY IMPROVED ISONIAZID AND ETHIONAMIDE DERIVATIVES AND ACTIVITY THROUGH SELECTIVE ISOTOPIC SUBSTITUTION | THE JOHN HOPKINS UNIVERSITY (US) | 2013-06-13 | — | — | US | disclosed |
| US-8394839-B2 | Rationally improved isoniazid and ethionamide derivatives and activity through selective isotopic substitution | STC.UNM (US) | 2013-03-12 | — | — | US | disclosed |
| US-20110218220-A1 | RATIONALLY IMPROVED ISONIAZID AND ETHIONAMIDE DERIVATIVES AND ACTIVITY THROUGH SELECTIVE ISOTOPIC SUBSTITUTION | STC.UNM (US) | 2011-09-08 | — | — | US | disclosed |
| WO-2009025820-A2 | RATIONALLY IMPROVED ISONIAZID AND ETHIONAMIDE DERIVATIVES AND ACTIVITY THROUGH SELECTIVE ISOTOPIC SUBSTITUTION | STC. UNM (US) | 2009-02-26 | — | — | WO | 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 (3 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-20110218220-A1 | RATIONALLY IMPROVED ISONIAZID AND ETHIONAMIDE DERIVATIVES AND ACTIVITY THROUGH SELECTIVE ISOTOPIC SUBSTITUTION | SDHA, IDH2, SDHB | KDM4E 1638/4885CYP3A4 166/4885MPO 2315/4885 |
| US-20150246126-A1 | MAGNETODYNAMIC ACTIVATION OF 13C-ACYL ISONIAZID AND ISONIAZID AND ETHIONAMIDE DERIVATIVES | HAMP, ME3, IDH1 | KDM4E 585/4885CYP3A4 73/4885MPO 1357/4885 |
| US-20130150415-A1 | RATIONALLY IMPROVED ISONIAZID AND ETHIONAMIDE DERIVATIVES AND ACTIVITY THROUGH SELECTIVE ISOTOPIC SUBSTITUTION | SDHA, IDH2, SDHB | KDM4E 1638/4885CYP3A4 166/4885MPO 2315/4885 |
“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.