Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8901822 | 0.84 | PTGS2 (0.46) | CA1CA2PTGS1PTGS2ADORA1 | |
| SCHEMBL8902364 | 0.80 | CDK1 (0.52) | PTGS1PTGS2CTSSCTSK | |
| SCHEMBL8903318 | 0.80 | CDK1 (0.53) | PTGS1PTGS2ADORA1ADORA3CTSS | |
| SCHEMBL8902911 | 0.78 | CDK1 (0.55) | PTGS1PTGS2ADORA3CTSSCTSK | |
| SCHEMBL8901655 | 0.78 | CDK1 (0.55) | PTGS1PTGS2ADORA3CTSSCTSK | |
| SCHEMBL8902845 | 0.78 | CA1 (0.43) | CA1CA2PTGS1PTGS2 | |
| SCHEMBL8903379 | 0.76 | PIN1 (0.43) | — | |
| SCHEMBL8903387 | 0.76 | CDK1 (0.39) | PTGS2ADORA3CTSSCTSK | |
| SCHEMBL8902502 | 0.75 | CDK1 (0.55) | ADORA1ADORA3CTSSCTSKADORA2A | |
| SCHEMBL8903186 | 0.75 | CDK1 (0.41) | PTGS2ADORA3CTSSCTSK |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5602140-A | CAUSED BY LEUKOCYTES | JAPAN ENERGY CORPORATION (JP) | 1997-02-11 | — | — | US | disclosed |
| US-5595487-A | SULFINIC ACID DERIVATIVE | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1997-01-21 | — | — | US | disclosed |
| EP-0675124-A2 | Purine derivatives and suppressants for inflammatory diseases | JAPAN ENERGY CORPORATION (JP) | 1995-10-04 | — | — | EP | disclosed |