Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.41 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.33 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.31 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 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 | |
|---|---|---|---|---|
| SCHEMBL4684821 | 0.98 | CA2 (0.40) | CA2GSTP1TXNRD1KEAP1NFE2L2 | |
| SCHEMBL4682558 | 0.95 | CA2 (0.40) | CA2TXNRD1 | |
| SCHEMBL7296336 | 0.87 | CA2 (0.36) | CA2 | |
| SCHEMBL7353118 | 0.84 | KEAP1 (0.31) | KEAP1NFE2L2 | |
| SCHEMBL4682556 | 0.82 | — | — | |
| SCHEMBL7296332 | 0.78 | — | — | |
| SCHEMBL8630145 | 0.69 | KEAP1 (0.60) | CA2KEAP1NFE2L2 | |
| SCHEMBL4681587 | 0.68 | KEAP1 (0.58) | CA2GSTP1KEAP1NFE2L2 | |
| SCHEMBL4739952 | 0.68 | KEAP1 (0.58) | CA2GSTP1KEAP1NFE2L2 | |
| SCHEMBL7289748 | 0.66 | CA2 (0.44) | CA2GSTP1KEAP1NFE2L2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5652247-A | VASOPRESSIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD (JP) | 1997-07-29 | — | — | US | disclosed |
| US-5436254-A | Vaopressin antagonists | OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) | 1995-07-25 | — | — | US | disclosed |
| EP-0602209-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-06-22 | — | — | EP | disclosed |
| EP-0382185-B1 | Carbostyril derivatives | OTSUKA PHARMA CO LTD (JP) | 1994-06-15 | — | — | EP | disclosed |
| WO-1994001113-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1994-01-20 | — | — | WO | disclosed |
| US-5225402-A | Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1993-07-06 | — | — | US | disclosed |