Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Ethionamide. 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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 1.00 |
| ▸ | POLB | P06746 | 1/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.77 |
| ▸ | LMNA | P02545 | 1/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.77 |
| ▸ | TSHR | P16473 | 1/20 | 0.77 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | PRKCI | P41743 | 1/20 | 0.39 |
| ▸ | PROKR1 | Q8TCW9 | 5/20 | 0.39 |
| ▸ | KDM5A | P29375 | 1/20 | 0.36 |
| ▸ | KDM5C | P41229 | 1/20 | 0.36 |
| ▸ | KDM5D | Q9BY66 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.35 |
| ▸ | SREBF1 | P36956 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Ethionamide SCHEMBL12264093 | 1.00 | CYP1A2 (1.00) | CYP1A2POLBKDM4ELMNACYP3A4 | |
| Ethionamide SCHEMBL12264095 | 1.00 | CYP1A2 (1.00) | CYP1A2POLBKDM4ELMNACYP3A4 | |
| Ethionamide SCHEMBL29411271 | 1.00 | CYP1A2 (1.00) | CYP1A2POLBKDM4ELMNACYP3A4 | |
| Ethionamide SCHEMBL27007 | 1.00 | CYP1A2 (1.00) | CYP1A2POLBKDM4ELMNACYP3A4 | |
| Ethionamide SCHEMBL12264086 | 1.00 | CYP1A2 (1.00) | CYP1A2POLBKDM4ELMNACYP3A4 | |
| Ethionamide SCHEMBL12264085 | 1.00 | CYP1A2 (1.00) | CYP1A2POLBKDM4ELMNACYP3A4 | |
| Ethionamide SCHEMBL12264090 | 1.00 | CYP1A2 (1.00) | CYP1A2POLBKDM4ELMNACYP3A4 | |
| Ethionamide SCHEMBL12264091 | 1.00 | CYP1A2 (1.00) | CYP1A2POLBKDM4ELMNACYP3A4 | |
| Ethionamide SCHEMBL12264084 | 1.00 | CYP1A2 (1.00) | CYP1A2POLBKDM4ELMNACYP3A4 | |
| Ethionamide SCHEMBL15869612 | 0.98 | CYP1A2 (0.96) | CYP1A2POLBKDM4ELMNACYP3A4 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3344325-A1 | LOCAL ADMINISTRATION OF DRUGS FOR THE TREATMENT OF ASTHMA | Mercator Medsystems, Inc. (US) | 2018-07-11 | — | — | EP | disclosed |
| WO-2017040605-A1 | LOCAL ADMINISTRATION OF DRUGS FOR THE TREATMENT OF ASTHMA | MERCATOR MEDSYSTEMS, INC. (US) | 2017-03-09 | — | — | WO | disclosed |
| EP-3086646-A2 | PLANTS CONTAINING BENEFICIAL ENDOPHYTES | Indigo AG, Inc. (US) | 2016-11-02 | — | — | EP | disclosed |
| WO-2015100431-A2 | PLANTS CONTAINING BENEFICIAL ENDOPHYTES | SYMBIOTA, INC. (US) | 2015-07-02 | — | — | WO | disclosed |
| EP-2616484-A2 | SCREENING METHOD | Universiteit Leiden (NL) | 2013-07-24 | — | — | EP | disclosed |
| WO-2012035120-A2 | SCREENING METHOD | UNIVERSITEIT LEIDEN (NL) | 2012-03-22 | — | — | WO | disclosed |
| US-5610198-A | THIA-LONG CHAIN-FATTY ACIDS OR ESTERS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1997-03-11 | — | — | US | disclosed |