Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.47 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | MMP12 | P39900 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | MMP14 | P50281 | 1/20 | 0.41 |
| ▸ | MMP16 | P51512 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28818939 | 0.86 | TRPA1 (0.46) | PTGS2PTGS1TRPA1ATMGABRA1 | |
| SCHEMBL490576 | 0.84 | PTGS2 (0.47) | PTGS2PTGS1CXCL8TRPA1GABRA1 | |
| SCHEMBL153695 | 0.83 | PTGS2 (0.59) | PTGS2PTGS1CXCL8GABRA1GABRB2 | |
| Acetic Acid SCHEMBL3429078 | 0.82 | GABRA1 (0.52) | PTGS1TRPA1ATMGABRA1GABRB2 | |
| SCHEMBL3083070 | 0.82 | TRPA1 (0.43) | PTGS1TRPA1ATMGABRA1GABRB2 | |
| SCHEMBL2035096 | 0.82 | CXCL8 (0.46) | PTGS2PTGS1CXCL8TRPA1ATM | |
| Methane SCHEMBL17958768 | 0.82 | PTGS2 (0.57) | PTGS2PTGS1CXCL8GABRA1GABRB2 | |
| SCHEMBL2731013 | 0.82 | PTGS2 (0.57) | PTGS2PTGS1CXCL8GABRA1GABRB2 | |
| SCHEMBL60358 | 0.82 | PTGS2 (0.49) | PTGS2PTGS1CXCL8TRPA1MMP1 | |
| SCHEMBL4070595 | 0.81 | ADRA2B (0.47) | PTGS2PTGS1CXCL8GABRA1GABRB2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011161646-A2 | PROCESS FOR THE PREPARATION OF ALVIMOPAN OR ITS PHARMACEUTICALLY ACCEPTABLE SALT OR SOLVATE THEREOF | RANBAXY LABORATORIES LIMITED (IN) | 2011-12-29 | — | — | WO | claimed |
| WO-2011161646-A2 | PROCESS FOR THE PREPARATION OF ALVIMOPAN OR ITS PHARMACEUTICALLY ACCEPTABLE SALT OR SOLVATE THEREOF | RANBAXY LABORATORIES LIMITED (IN) | 2011-12-29 | — | — | WO | disclosed |
| EP-0503563-B1 | Novel 8-substituted purines as selective adenosine receptor agents | MERRELL PHARMA INC (US) | 2003-09-17 | — | — | EP | disclosed |
| US-5208240-A | Alzeheimer's, cardiovascular, respiratory | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-05-04 | — | — | US | disclosed |
| EP-0503563-A2 | Novel 8-substituted purines as selective adenosine receptor agents | MERRELL PHARMACEUTICALS INC. (US) | 1992-09-16 | — | — | EP | disclosed |