Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | GPX4 | P36969 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 5/20 | 0.37 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.37 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3686497 | 0.81 | ALDH1A1 (0.40) | ALDH1A1NPC1RAB9AALDH3A1ALDH1A3 | |
| SCHEMBL21523334 | 0.81 | ALDH1A1 (0.52) | ALDH1A1NPC1RAB9AGPR84MAPT | |
| SCHEMBL6791450 | 0.81 | ALDH1A1 (0.52) | ALDH1A1NPC1RAB9AGPR84MAPT | |
| SCHEMBL11227114 | 0.81 | ALDH1A1 (0.52) | ALDH1A1NPC1RAB9AGPR84MAPT | |
| SCHEMBL9100365 | 0.80 | ALDH3A1 (0.46) | ALDH1A1NPC1RAB9AALDH3A1ALDH1A3 | |
| SCHEMBL9166807 | 0.78 | GPX4 (0.57) | ALDH1A1NPC1RAB9APAX8TP53 | |
| SCHEMBL9654013 | 0.78 | GPX4 (0.57) | ALDH1A1NPC1RAB9APAX8TP53 | |
| SCHEMBL27488595 | 0.78 | GPX4 (0.57) | ALDH1A1NPC1RAB9APAX8TP53 | |
| SCHEMBL5915683 | 0.77 | ALDH1A1 (0.47) | ALDH1A1MAPTALDH3A1ALDH1A3TDP1 | |
| SCHEMBL10495028 | 0.76 | HTR7 (0.55) | ALDH1A1MTNR1AMTNR1B |
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 10 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 |
| EP-0470514-B1 | Carbostyril derivatives and pharmaceutical composition containing the same | OTSUKA PHARMA CO LTD (JP) | 1997-02-19 | — | — | EP | 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 |
| US-5300513-A | Vasopressin antagonists; vasodilators, hypotensive agents, water diuretics, and platelet agglutination inhibitors | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-04-05 | — | — | US | 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 |
| EP-0470514-A1 | Carbostyril derivatives and pharmaceutical composition containing the same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1992-02-12 | — | — | EP | disclosed |
| EP-0382185-A2 | Carbostyril derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1990-08-16 | — | — | EP | disclosed |