Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 2/20 | 0.30 |
| ▸ | CA1 | P00915 | 2/20 | 0.30 |
| ▸ | CA2 | P00918 | 2/20 | 0.30 |
| ▸ | CA4 | P22748 | 2/20 | 0.30 |
| ▸ | CA9 | Q16790 | 2/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL28277555 | 0.87 | ALDH1A1 (0.46) | ALDH1A1PTGS2PTGS1CA12CA1 | |
| SCHEMBL11792981 | 0.87 | ALDH1A1 (0.46) | ALDH1A1PTGS2PTGS1CA12CA1 | |
| SCHEMBL437092 | 0.87 | ALDH1A1 (0.46) | ALDH1A1PTGS2PTGS1CA12CA1 | |
| SCHEMBL1773954 | 0.87 | ALDH1A1 (0.46) | ALDH1A1PTGS2PTGS1CA12CA1 | |
| SCHEMBL439675 | 0.87 | ALDH1A1 (0.46) | ALDH1A1PTGS2PTGS1CA12CA1 | |
| SCHEMBL2778418 | 0.86 | TSHR (0.47) | ALDH1A1TSHRLMNACYP3A4CA12 | |
| SCHEMBL2778250 | 0.86 | TSHR (0.47) | ALDH1A1TSHRLMNACYP3A4CA12 | |
| SCHEMBL1774061 | 0.86 | ALDH1A1 (0.38) | ALDH1A1TSHRLMNAPTGS2PTGS1 | |
| Butane SCHEMBL7083181 | 0.85 | ALDH1A1 (0.43) | ALDH1A1TSHRPTGS2PTGS1CA12 | |
| SCHEMBL324772 | 0.85 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0129995-B2 | A PROCESS FOR THE MANUFACTURE OF NITRIC ACID ESTERS | AECI LIMITED (ZA) | 1993-09-08 | — | — | EP | claimed |
| EP-0129995-B1 | A PROCESS FOR THE MANUFACTURE OF NITRIC ACID ESTERS | AECI LIMITED (ZA) | 1987-05-13 | — | — | EP | claimed |
| US-9133150-B2 | O-nitro compounds and pharmaceutical compositions including same | ORBITAL ATK, INC. (US) | 2015-09-15 | — | — | US | disclosed |
| US-20130309324-A1 | O-NITRO COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS INCLUDING SAME | RADIORX, INC., C/O INTERWEST VENTURE PARTNERS (US) | 2013-11-21 | — | — | US | disclosed |
| US-8530681-B2 | Pharmaceutical compositions of O-nitro compounds | ALLIANT TECHSYSTEMS INC. (US) | 2013-09-10 | — | — | US | disclosed |
| US-20120291931-A1 | COMPOSITE COMPOUND INCLUDING EXPLOSIVE AND MODIFIER FOR EXPLOSIVE AND METHOD OF MANUFACTURE THEREOF | MCDERMOTT WILL & EMERY | 2012-11-22 | — | — | US | disclosed |
| US-20120237615-A1 | PHARMACEUTICAL COMPOSITIONS OF O-NITRO COMPOUNDS | RADIORX, INC., C/O INTERWEST VENTURE PARTNERS (US) | 2012-09-20 | — | — | US | disclosed |
| US-20100096050-A1 | MODIFIER FOR EXPLOSIVES | LIMITED LIABILITY COMPANY IFO | 2010-04-22 | — | — | US | disclosed |
| US-4448587-A | ALKYL NITRATES AND ALKOXYALKYL NITRATES AS ADDITIVES | ETHYL CORPORATION (US) | 1984-05-15 | — | — | 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 (2 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-20120237615-A1 | PHARMACEUTICAL COMPOSITIONS OF O-NITRO COMPOUNDS | NOS1, NOS2, NOS3 | ALDH1A1 1059/4885TSHR 3791/4885LMNA 1625/4885 |
| US-20130309324-A1 | O-NITRO COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS INCLUDING SAME | NOS1, NOS2, NOS3 | ALDH1A1 957/4885TSHR 4108/4885LMNA 1987/4885 |
“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.