Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 10/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GNRHR | P30968 | 7/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7591160 | 0.92 | ADORA2B (0.37) | ADORA2BKMT2AGNRHRALDH1A1NPSR1 | |
| SCHEMBL7591544 | 0.90 | GNRHR (0.43) | KMT2AGNRHR | |
| SCHEMBL6704311 | 0.89 | GNRHR (0.36) | KMT2AGNRHR | |
| SCHEMBL7595053 | 0.87 | GNRHR (0.35) | KMT2AGNRHR | |
| SCHEMBL7594784 | 0.87 | GNRHR (0.35) | KMT2AGNRHR | |
| SCHEMBL7594071 | 0.86 | ADORA2B (0.54) | ADORA2BKMT2A | |
| SCHEMBL7593507 | 0.85 | GNRHR (0.37) | KMT2AGNRHR | |
| SCHEMBL7590037 | 0.85 | GNRHR (0.34) | ADORA2BKMT2AGNRHRNPSR1 | |
| SCHEMBL8189365 | 0.84 | GNRHR (0.34) | KMT2AGNRHR | |
| SCHEMBL8649918 | 0.83 | GNRHR (0.42) | GNRHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0846119-B1 | THIENOPYRIMIDINE DERIVATIVES, THEIR PRODUCTION AND USE AS ENDOTHELIN ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2002-11-13 | — | — | EP | disclosed |
| US-6140325-A | HAS ENDOTHELIN ANTAGONISTIC ACTION; FOR TREATING LIVER HYPOFUNCTION, ACUTE RENAL INSUFFICIENCY, CARDIAC INFARCTION OR LIVER INSUFFICIENCY, VASOCONSTRICTION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-10-31 | — | — | US | disclosed |