Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.72 |
| ▸ | MIF | P14174 | 1/20 | 0.72 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.72 |
| ▸ | PDE4A | P27815 | 1/20 | 0.72 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.72 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 3/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13815364 | 0.89 | PTGS1 (0.69) | ADORA3MIFPTGS1PDE4APDE4D | |
| Iguratimod SCHEMBL29366981 | 0.84 | PTGS1 (1.00) | ADORA3MIFPTGS1PDE4APDE4D | |
| SCHEMBL30753982 | 0.84 | PTGS1 (0.77) | ADORA3MIFPTGS1PDE4APDE4D | |
| SCHEMBL31114276 | 0.84 | PTGS1 (0.77) | ADORA3MIFPTGS1PDE4APDE4D | |
| Iguratimod SCHEMBL26326 | 0.84 | PTGS1 (1.00) | ADORA3MIFPTGS1PDE4APDE4D | |
| Iguratimod SCHEMBL5455197 | 0.83 | PTGS1 (0.98) | ADORA3MIFPTGS1PDE4APDE4D | |
| SCHEMBL7863101 | 0.80 | PTGS1 (0.81) | ADORA3MIFPTGS1PDE4APDE4D | |
| Iguratimod SCHEMBL29230458 | 0.78 | PTGS1 (0.87) | ADORA3MIFPTGS1PDE4APDE4D | |
| SCHEMBL8288071 | 0.78 | ADORA3 (0.74) | ADORA3MIFPTGS1PDE4APDE4D | |
| SCHEMBL10417345 | 0.77 | ACHE (0.54) | ADORA3MIFPTGS1PDE4APDE4D |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7544711-B2 | Use of nitroderivatives in urinary incontinence | NICOX S.A. (FR) | 2009-06-09 | — | — | US | disclosed |
| EP-1473288-B1 | Nitric ester derivatives of COX-2 inhibitors and their use for treating inflammation and cardiovascular diseases | NICOX SA (FR) | 2008-07-16 | — | — | EP | disclosed |