Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.61 |
| ▸ | CA2 | P00918 | 2/20 | 0.61 |
| ▸ | CA7 | P43166 | 2/20 | 0.61 |
| ▸ | CA9 | Q16790 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | TACR1 | P25103 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1530998 | 1.00 | CA1 (0.61) | CA1CA2CA7CA9TSHR | |
| SCHEMBL8775669 | 0.83 | CA1 (0.61) | CA1CA2CA7CA9TSHR | |
| SCHEMBL4385964 | 0.83 | CA1 (0.66) | CA1CA2CA7CA9TSHR | |
| SCHEMBL93708 | 0.83 | CA1 (0.66) | CA1CA2CA7CA9TSHR | |
| SCHEMBL93709 | 0.83 | CA1 (0.66) | CA1CA2CA7CA9TSHR | |
| SCHEMBL4951286 | 0.83 | CA1 (0.66) | CA1CA2CA7CA9TSHR | |
| SCHEMBL397022 | 0.83 | CA1 (0.78) | CA1CA2CA7CA9TSHR | |
| SCHEMBL4382418 | 0.83 | CA1 (0.66) | CA1CA2CA7CA9TSHR | |
| SCHEMBL873616 | 0.79 | CA1 (0.61) | CA1CA2CA7CA9TSHR | |
| SCHEMBL7153591 | 0.79 | CA1 (0.76) | CA1CA2CA7CA9TSHR |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2501685-A1 | [1,5]-DIAZOCIN DERIVATIVES | Mellitech (FR) | 2012-09-26 | — | — | EP | claimed |
| US-20120225892-A1 | [1,5]-Diazocin Derivatives | MELLITECH (FR) | 2012-09-06 | — | — | US | claimed |
| WO-2011058193-A1 | [1,5]-DIAZOCIN DERIVATIVES | MELLITECH (FR) | 2011-05-19 | — | — | WO | claimed |
| US-8765728-B2 | [1,5]-diazocin derivatives | MELLITECH (FR) | 2014-07-01 | — | — | US | disclosed |
| EP-2501685-A1 | [1,5]-DIAZOCIN DERIVATIVES | Mellitech (FR) | 2012-09-26 | — | — | EP | disclosed |
| US-20120225892-A1 | [1,5]-Diazocin Derivatives | MELLITECH (FR) | 2012-09-06 | — | — | US | disclosed |
| US-8222277-B2 | Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use | NICOX S.A. (FR) | 2012-07-17 | — | — | US | disclosed |
| WO-2011058193-A1 | [1,5]-DIAZOCIN DERIVATIVES | MELLITECH (FR) | 2011-05-19 | — | — | WO | disclosed |
| US-7754772-B2 | Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use | NICOX, S.A. (FR) | 2010-07-13 | — | — | US | disclosed |
| EP-1539729-A4 | NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2008-02-20 | — | — | EP | disclosed |
| US-20050222243-A1 | Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use | NITROMED, INC. (US) | 2005-10-06 | — | — | US | disclosed |
| EP-1539729-A2 | NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004004648-A2 | NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2004-01-15 | — | — | WO | 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-20050222243-A1 | Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use | NOS2, NOS1, NOS3 | CA1 2841/4885CA2 1073/4885CA7 2026/4885 |
| US-20120225892-A1 | [1,5]-Diazocin Derivatives | IAPP, INSR, GLP1R | CA1 3887/4885CA2 1843/4885CA7 2018/4885 |
“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.