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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.95 |
| ▸ | MAPT | P10636 | 1/20 | 0.75 |
| ▸ | BCHE | P06276 | 6/20 | 0.62 |
| ▸ | GSR | P00390 | 8/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
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 SCHEMBL27976716 | 0.98 | ALDH1A1 (0.91) | ALDH1A1MAPTBCHEGSRCA2 | |
| Isosorbide Dinitrate SCHEMBL9439417 | 0.98 | ALDH1A1 (1.00) | ALDH1A1MAPTBCHEGSRCA2 | |
| Isosorbide Dinitrate SCHEMBL29532755 | 0.98 | ALDH1A1 (1.00) | ALDH1A1MAPTBCHEGSRCA2 | |
| Isosorbide Dinitrate SCHEMBL19528695 | 0.98 | ALDH1A1 (1.00) | ALDH1A1MAPTBCHEGSRCA2 | |
| Isosorbide Dinitrate SCHEMBL8253 | 0.98 | ALDH1A1 (1.00) | ALDH1A1MAPTBCHEGSRCA2 | |
| Isosorbide Dinitrate SCHEMBL309369 | 0.98 | ALDH1A1 (1.00) | ALDH1A1MAPTBCHEGSRCA2 | |
| Isosorbide Dinitrate SCHEMBL1553054 | 0.98 | ALDH1A1 (1.00) | ALDH1A1MAPTBCHEGSRCA2 | |
| Isosorbide Dinitrate SCHEMBL714959 | 0.95 | ALDH1A1 (0.95) | ALDH1A1MAPTBCHEGSRCA2 | |
| Isosorbide Dinitrate SCHEMBL28209664 | 0.93 | ALDH1A1 (0.91) | ALDH1A1MAPTBCHEGSRCA2 | |
| Isosorbide Dinitrate SCHEMBL3864281 | 0.91 | ALDH1A1 (0.88) | ALDH1A1MAPTBCHEGSRCA2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8431609-B2 | Process for preparation of pyrazole derivatives | SHAH DARMESH MAHENDRABHAI (IN) | 2013-04-30 | — | — | US | claimed |
| US-20100190988-A1 | PROCESS FOR PREPARATION OF PYRAZOLE DERIVATIVES | SHAH DARMESH MAHENDRABHAI | 2010-07-29 | — | — | US | claimed |
| US-7696299-B2 | Fast crystallizing modified polyethylene naphthalate | FUTURA POLYESTERS LIMITED (IN) | 2010-04-13 | — | — | US | claimed |
| WO-2008102367-A1 | PROCESS FOR PREPARATION OF PYRAZOLE DERIVATIVES | SHAH DARMESH MAHENDRABHAI (IN) | 2008-08-28 | — | — | WO | claimed |
| US-20070203324-A1 | Fast crystallizing modified polyethylene naphthalate | FUTURA POLYESTERS LIMITED (IN) | 2007-08-30 | — | — | US | claimed |
| US-8431609-B2 | Process for preparation of pyrazole derivatives | SHAH DARMESH MAHENDRABHAI (IN) | 2013-04-30 | — | — | US | disclosed |
| US-20100190988-A1 | PROCESS FOR PREPARATION OF PYRAZOLE DERIVATIVES | SHAH DARMESH MAHENDRABHAI | 2010-07-29 | — | — | US | disclosed |
| US-7696299-B2 | Fast crystallizing modified polyethylene naphthalate | FUTURA POLYESTERS LIMITED (IN) | 2010-04-13 | — | — | US | disclosed |
| WO-2008102367-A1 | PROCESS FOR PREPARATION OF PYRAZOLE DERIVATIVES | SHAH DARMESH MAHENDRABHAI (IN) | 2008-08-28 | — | — | WO | disclosed |
| US-20070203324-A1 | Fast crystallizing modified polyethylene naphthalate | FUTURA POLYESTERS LIMITED (IN) | 2007-08-30 | — | — | 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-20100190988-A1 | PROCESS FOR PREPARATION OF PYRAZOLE DERIVATIVES | PDXK, PYCR1, PPOX | ALDH1A1 4459/4885MAPT 3662/4885BCHE 2324/4885 |
“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.