Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 7/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 7/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 7/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 7/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 7/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 7/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 7/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 7/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 7/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | FOLH1 | Q04609 | 4/20 | 0.33 |
| ▸ | MMP3 | P08254 | 2/20 | 0.30 |
| ▸ | MMP8 | P22894 | 2/20 | 0.30 |
| ▸ | MMP13 | P45452 | 2/20 | 0.30 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29179 | 0.88 | CYP3A4 (0.45) | CYP3A4TDP1 | |
| SCHEMBL240779 | 0.85 | TDP1 (0.43) | CYP3A4TDP1 | |
| SCHEMBL28797563 | 0.85 | CYP3A4 (0.43) | CYP3A4TDP1 | |
| SCHEMBL8211513 | 0.85 | CYP3A4 (0.43) | CYP3A4TDP1 | |
| SCHEMBL7164452 | 0.85 | TDP1 (0.43) | CYP3A4TDP1 | |
| SCHEMBL5838521 | 0.85 | TDP1 (0.43) | CYP3A4TDP1 | |
| SCHEMBL3930010 | 0.85 | CYP3A4 (0.43) | CYP3A4TDP1 | |
| SCHEMBL689027 | 0.85 | TDP1 (0.43) | CYP3A4TDP1 | |
| Hydrochloric Acid SCHEMBL9322645 | 0.85 | CYP3A4 (0.43) | CYP3A4TDP1 | |
| SCHEMBL2920316 | 0.85 | CYP3A4 (0.43) | CYP3A4TDP1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1572086-A4 | METHODS AND COMPOSITION BASED ON DISCOVERY OF METABOLISM OF NITROCLYCERIN | UNIV DUKE (US) | 2008-07-02 | — | — | EP | claimed |
| EP-1572086-A2 | METHODS AND COMPOSITION BASED ON DISCOVERY OF METABOLISM OF NITROCLYCERIN | DUKE UNIVERSITY (US) | 2005-09-14 | — | — | EP | claimed |
| US-20050131063-A1 | Methods and composition based on discovery of metabolism of nitroglycerin | DUKE UNIVERSITY | 2005-06-16 | — | — | US | claimed |
| WO-2003075832-A2 | METHODS AND COMPOSITION BASED ON DISCOVERY OF METABOLISM OF NITROCLYCERIN | DUKE UNIVERSITY (US) | 2003-09-18 | — | — | WO | claimed |
| US-7691907-B2 | Methods and composition based on discovery of metabolism of nitroglycerin | DUKE UNIVERSITY (US) | 2010-04-06 | — | — | US | disclosed |
| US-20050131063-A1 | Methods and composition based on discovery of metabolism of nitroglycerin | DUKE UNIVERSITY | 2005-06-16 | — | — | 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-20050131063-A1 | Methods and composition based on discovery of metabolism of nitroglycerin | PTGIS, VASP, GK | HDAC3 3462/4885HDAC4 3494/4885HDAC1 2678/4885 |
“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.