Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.64 |
| ▸ | CA1 | P00915 | 2/20 | 0.64 |
| ▸ | CA2 | P00918 | 2/20 | 0.64 |
| ▸ | CA9 | Q16790 | 2/20 | 0.64 |
| ▸ | CA4 | P22748 | 1/20 | 0.64 |
| ▸ | ESR1 | P03372 | 1/20 | 0.57 |
| ▸ | CA7 | P43166 | 1/20 | 0.57 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.57 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL12647546 | 0.83 | CA12 (0.71) | CA12CA1CA2CA9CA4 | |
| SCHEMBL2802142 | 0.82 | CA12 (0.65) | CA12CA1CA2CA9CA4 | |
| SCHEMBL4051708 | 0.82 | CA12 (0.65) | CA12CA1CA2CA9CA4 | |
| SCHEMBL27563576 | 0.80 | CA12 (0.59) | CA12CA1CA2CA9ESR1 | |
| SCHEMBL12861014 | 0.80 | MAOB (0.59) | CA12CA1CA2CA9CA4 | |
| SCHEMBL13525150 | 0.80 | CA12 (0.56) | CA12CA1CA2CA9CA4 | |
| SCHEMBL13546028 | 0.80 | CYP4F2 (0.56) | CA12CA1CA2CA9CA4 | |
| SCHEMBL10821032 | 0.80 | CA1 (0.69) | CA12CA1CA2CA9ESR1 | |
| SCHEMBL18020587 | 0.80 | CA12 (0.52) | CA12CA1CA2CA9CA4 | |
| SCHEMBL186786 | 0.78 | CA12 (0.56) | CA12CA1CA2CA9CA4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7763600-B2 | Hormone-based nitrogen monoxide donor compounds and use thereof in obstetrics and gynecology | EFFIK (FR) | 2010-07-27 | — | — | US | disclosed |
| EP-2061751-A1 | NITRATE ESTERS OF AMINOALCOHOLS | Novartis Ag (CH) | 2009-05-27 | — | — | EP | disclosed |
| WO-2008031811-A1 | NITRATE ESTERS OF AMINOALCOHOLS | SPEEDEL EXPERIMENTA AG (CH) | 2008-03-20 | — | — | WO | disclosed |
| US-20050222105-A1 | Hormone-based nitrogen monoxide donor compounds and use thereof in obstetrics and gynecology | EFFIK (FR) | 2005-10-06 | — | — | 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-20050222105-A1 | Hormone-based nitrogen monoxide donor compounds and use thereof in obstetrics and gynecology | PGF, SHBG, GNRHR | CA12 1129/4885CA1 2261/4885CA2 1421/4885 |
“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.