Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.42 |
| ▸ | CES2 | O00748 | 3/20 | 0.35 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 4/20 | 0.35 |
| ▸ | PLA2G6 | O60733 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | GBA1 | P04062 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8761389 | 0.91 | CES2 (0.47) | CES1CES2GMNNTP53POLB | |
| SCHEMBL9203695 | 0.91 | CES2 (0.47) | CES1CES2GMNNTP53POLB | |
| SCHEMBL12285409 | 0.79 | CES1 (0.40) | CES1CES2GMNNTP53POLB | |
| SCHEMBL4986794 | 0.79 | CES1 (0.40) | CES1CES2GMNNTP53POLB | |
| SCHEMBL981620 | 0.76 | CES1 (0.36) | CES1CES2GMNNTP53POLB | |
| SCHEMBL2974536 | 0.75 | CES1 (0.38) | CES1CES2GMNNTP53POLB | |
| SCHEMBL2974535 | 0.75 | CES1 (0.38) | CES1CES2GMNNTP53POLB | |
| SCHEMBL7296250 | 0.75 | CES1 (0.42) | CES1CES2GMNNTP53POLB | |
| SCHEMBL10657658 | 0.74 | ALDH1A1 (0.44) | ALDH1A1 | |
| SCHEMBL12948670 | 0.73 | — | — |
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 7 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 |
| EP-0382185-A2 | Carbostyril derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1990-08-16 | — | — | EP | disclosed |