Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Isosorbide Dinitrate. 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 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | GOT1 | P17174 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | MPO | P05164 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.54 |
| ▸ | THPO | P40225 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.54 |
| ▸ | ACOX1 | Q15067 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Isosorbide Dinitrate SCHEMBL3505229 | 0.99 | KDM4E (0.55) | KDM4ETP53CYP3A4GOT1SMN1; SMN2 | |
| Hydralazine SCHEMBL4711942 | 0.81 | NPC1 (0.56) | KDM4ETP53CYP3A4GOT1SMN1; SMN2 | |
| Hydralazine SCHEMBL6787333 | 0.77 | ALDH1A1 (0.76) | KDM4ETP53CYP3A4GOT1SMN1; SMN2 | |
| Hydralazine SCHEMBL7810 | 0.74 | ALDH1A1 (1.00) | KDM4ETP53CYP3A4GOT1SMN1; SMN2 | |
| Hydralazine SCHEMBL3995896 | 0.74 | ALDH1A1 (1.00) | KDM4ETP53CYP3A4GOT1SMN1; SMN2 | |
| Hydralazine SCHEMBL2780318 | 0.72 | ALDH1A1 (0.89) | KDM4ETP53CYP3A4GOT1SMN1; SMN2 | |
| Hydralazine SCHEMBL1173534 | 0.72 | GOT1 (1.00) | KDM4ETP53CYP3A4GOT1SMN1; SMN2 | |
| Hydralazine SCHEMBL36271 | 0.72 | GOT1 (1.00) | KDM4ETP53CYP3A4GOT1SMN1; SMN2 | |
| Hydralazine SCHEMBL27864907 | 0.72 | GOT1 (1.00) | KDM4ETP53CYP3A4GOT1SMN1; SMN2 | |
| Nitroglycerin SCHEMBL28227403 | 0.71 | PTGS1 (0.57) | KDM4ETP53CYP3A4GOT1SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230141929-A1 | METHOD FOR TREATING CARDIOVASCULAR DISEASE | TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) | 2023-05-11 | — | — | US | disclosed |
| EP-2124638-B1 | PERFORMANCE ENHANCING COMPOSITION AND USE THEREOF | HEARTBEET LTD (GB) | 2016-12-07 | — | — | EP | disclosed |
| US-8207219-B2 | Ion channel modulating activity I | CARDIOME PHARMA CORP. (CA) | 2012-06-26 | — | — | US | disclosed |