Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.63 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.63 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.59 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.59 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | CDC42 | P60953 | 1/20 | 0.59 |
| ▸ | RAC1 | P63000 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL1395995 | 1.00 | PTGS2 (0.63) | PTGS2TDP1L3MBTL1AKR1C3AKR1C2 | |
| SCHEMBL3106087 | 0.99 | PTGS2 (0.62) | PTGS2TDP1L3MBTL1AKR1C3AKR1C2 | |
| SCHEMBL3106092 | 0.99 | PTGS2 (0.62) | PTGS2TDP1L3MBTL1AKR1C3AKR1C2 | |
| SCHEMBL8186943 | 0.96 | PTGS2 (0.65) | PTGS2TDP1L3MBTL1AKR1C3AKR1C2 | |
| SCHEMBL13592731 | 0.95 | TDP1 (0.69) | PTGS2TDP1L3MBTL1AKR1C3AKR1C2 | |
| SCHEMBL16193388 | 0.91 | PTGS2 (0.65) | PTGS2TDP1L3MBTL1AKR1C3AKR1C2 | |
| SCHEMBL12744212 | 0.91 | PTGS2 (0.65) | PTGS2TDP1L3MBTL1AKR1C3AKR1C2 | |
| SCHEMBL9593126 | 0.91 | TDP1 (0.68) | PTGS2TDP1L3MBTL1AKR1C3AKR1C2 | |
| SCHEMBL8197796 | 0.91 | TDP1 (0.68) | PTGS2TDP1L3MBTL1AKR1C3AKR1C2 | |
| SCHEMBL13089018 | 0.90 | PTGS2 (0.63) | PTGS2TDP1L3MBTL1AKR1C3AKR1C2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012152438-A1 | PROCESS FOR THE PREPARATION OF NITRATE ACID ESTER OF ORGANIC COMPOUNDS | NICOX S.A. (FR) | 2012-11-15 | — | — | WO | claimed |
| US-20130165494-A1 | 1,5-Diaryl-2-alkylpyrrole-3-Substituted Nitro Esters, Selective COX-2 Inhibitors and Nitric Oxide Donors | ROTTAPHARM S.P.A. (IT) | 2013-06-27 | — | — | US | disclosed |
| US-20130165494-A1 | 1,5-Diaryl-2-alkylpyrrole-3-Substituted Nitro Esters, Selective COX-2 Inhibitors and Nitric Oxide Donors | ROTTAPHARM S.P.A. (IT) | 2013-06-27 | — | — | US | disclosed |
| US-8329937-B2 | Method for purifying 4-(nitrooxy)butyl(2S)-2-(6-methoxy-2-naphthyl) propanoate | NICOX S.A. (FR) | 2012-12-11 | — | — | US | disclosed |
| WO-2012152438-A1 | PROCESS FOR THE PREPARATION OF NITRATE ACID ESTER OF ORGANIC COMPOUNDS | NICOX S.A. (FR) | 2012-11-15 | — | — | WO | disclosed |
| EP-2288590-A2 | METHOD FOR PURIFYING 4-(NITROOXY)BUTYL(2S)-2-(6-METHOXY-2-NAPHTHYL)PROPANOATE | Nicox S.A. (FR) | 2011-03-02 | — | — | EP | disclosed |
| US-20110034719-A1 | PROCESS FOR THE PREPARATION OF (S)- NAPROXEN 4-NITROOXYBUTYL ESTER | NICOX S.A. (FR) | 2011-02-10 | — | — | US | disclosed |
| US-20110034719-A1 | PROCESS FOR THE PREPARATION OF (S)- NAPROXEN 4-NITROOXYBUTYL ESTER | NICOX S.A. (FR) | 2011-02-10 | — | — | US | disclosed |
| US-20100256411-A1 | METHOD FOR PURIFYING 4-(NITROOXY)BUTYL(2S)-2-(6-METHOXY-2-NAPHTHYL) PROPANOATE | NICOX S.A. (FR) | 2010-10-07 | — | — | US | disclosed |
| US-20100137599-A1 | PROCESS FOR PREPARING 1,4-BUTANDIOL MONITRATE | NICOX S.A. (FR) | 2010-06-03 | — | — | US | disclosed |
| EP-2170803-A1 | PROCESS FOR PREPARING 1,4-BUTANDIOL MONONITRATE | Nicox S.A. (FR) | 2010-04-07 | — | — | EP | disclosed |
| WO-2009000723-A1 | PROCESS FOR PREPARING 1,4-BUTANDIOL MONONITRATE | NICOX S.A. (FR) | 2008-12-31 | — | — | 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 (4 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-20100137599-A1 | PROCESS FOR PREPARING 1,4-BUTANDIOL MONITRATE | CYP11B1, CYP11B2, HSD17B7 | PTGS2 1919/4885TDP1 198/4885L3MBTL1 4346/4885 |
| US-20100256411-A1 | METHOD FOR PURIFYING 4-(NITROOXY)BUTYL(2S)-2-(6-METHOXY-2-NAPHTHYL) PROPANOATE | NAPEPLD, PNPO, NRDC | PTGS2 60/4885TDP1 1591/4885L3MBTL1 4869/4885 |
| US-20110034719-A1 | PROCESS FOR THE PREPARATION OF (S)- NAPROXEN 4-NITROOXYBUTYL ESTER | PTGES, CYP4B1, PTGES2 | PTGS2 15/4885TDP1 2630/4885L3MBTL1 4828/4885 |
| US-20130165494-A1 | 1,5-Diaryl-2-alkylpyrrole-3-Substituted Nitro Esters, Selective COX-2 Inhibitors and Nitric Oxide Donors | NOS3, PTGER3, PTGES3 | PTGS2 9/4885TDP1 3923/4885L3MBTL1 3404/4885 |
“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.