Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC5A1 | P13866 | 3/20 | 0.37 |
| ▸ | SLC5A2 | P31639 | 3/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MMP12 | P39900 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | VKORC1 | Q9BQB6 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6589445 | 0.81 | PTGS2 (0.48) | PTGS2 | |
| SCHEMBL3868483 | 0.78 | MAPK1 (0.36) | SLC5A1SLC5A2MEN1CYP1A2CYP3A4 | |
| SCHEMBL3863109 | 0.71 | BRD4 (0.34) | NPC1POLBRAB9A | |
| SCHEMBL8492636 | 0.69 | MAPK1 (0.42) | MEN1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8890297 | 0.68 | LTA4H (0.44) | MEN1KMT2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL28319223 | 0.67 | PDE4A (0.50) | MEN1KMT2ANPC1POLBRAB9A | |
| SCHEMBL2375632 | 0.66 | MAPK14 (0.46) | MAPK14MEN1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL8758913 | 0.66 | SLC5A1 (0.46) | SLC5A1SLC5A2MAPK14 | |
| SCHEMBL2375334 | 0.66 | ALDH1A1 (0.42) | SMN1; SMN2HSD17B10NPC1RAB9ACDK2 | |
| SCHEMBL3946521 | 0.65 | HPGD (0.54) | CYP1A2NPC1RAB9ACCNE2CDK4 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090099139-A1 | NITROSATED AND NITROSYLATED CYCLOOXYGENASE-2 INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2009-04-16 | — | — | US | disclosed |
| US-7432285-B2 | Nitrosated and nitrosylated cyclooxygenase-2 inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2008-10-07 | — | — | US | disclosed |
| US-20070060571-A1 | Nitrosated and nitrosylated cyclooxygenase-2 inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2007-03-15 | — | — | US | disclosed |
| US-7166618-B2 | Nitrosated and nitrosylated cyclooxygenase-2 inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2007-01-23 | — | — | US | disclosed |
| US-20030220228-A1 | Nitrosated and nitrosylated cyclooxygenase-2 inhibitors, compositions and methods of use | NICOX S.A. (FR) | 2003-11-27 | — | — | US | disclosed |
| US-6649629-B2 | 4-(5-(4-chlorophenyl)-3-((nitrooxy)methyl)-3-hydropyrazolyl) -benzenesulfonamide, for example; treating gastrointestinal disorders, ulcer healing agents, treating disorders resulting from elevated cyclooxygenase (COX-2) | NITROMED, INC. | 2003-11-18 | — | — | US | disclosed |
| US-20010041726-A1 | 4-(5-(4-chlorophenyl)-3-((nitrooxy)methyl)-3-hydropyrazolyl) -benzenesulfonamide, for example; treating gastrointestinal disorders, ulcer healing agents, treating disorders resulting from elevated cyclooxygenase (COX-2) | NICOX S.A. (FR) | 2001-11-15 | — | — | 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 (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-20090099139-A1 | NITROSATED AND NITROSYLATED CYCLOOXYGENASE-2 INHIBITORS, COMPOSITIONS AND METHODS OF USE | NOS2, PTGS2, PTGIS | SLC5A1 1749/4885SLC5A2 811/4885MAPK14 1339/4885 |
| US-20070060571-A1 | Nitrosated and nitrosylated cyclooxygenase-2 inhibitors, compositions and methods of use | NOS2, PTGS2, PTGIS | SLC5A1 1749/4885SLC5A2 811/4885MAPK14 1339/4885 |
| US-20030220228-A1 | Nitrosated and nitrosylated cyclooxygenase-2 inhibitors, compositions and methods of use | PTGS2, PTGS1, PTGES2 | SLC5A1 2283/4885SLC5A2 1653/4885MAPK14 1795/4885 |
| US-20010041726-A1 | 4-(5-(4-chlorophenyl)-3-((nitrooxy)methyl)-3-hydropyrazolyl) -benzenesulfonamide, for example; treating gastrointestinal disorders, ulcer healing agents, treating disorders resulting from elevated cyclooxygenase (COX-2) | PTGS1, PTGS2, PTGES | SLC5A1 2533/4885SLC5A2 2248/4885MAPK14 1082/4885 |
“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.