Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | CRHBP | P24387 | 1/20 | 0.51 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | PDE6A | P16499 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | MC4R | P32245 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | MC3R | P41968 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL43183 | 0.85 | TSHR (0.74) | TSHRCYP2C19CRHBPCRHR2CYP2D6 | |
| SCHEMBL355040 | 0.83 | TSHR (0.71) | TSHRCYP2C19CRHBPCRHR2CYP2D6 | |
| Hydrochloric Acid SCHEMBL2139953 | 0.83 | TSHR (0.71) | TSHRCYP2C19CRHBPCRHR2CYP2D6 | |
| SCHEMBL4160244 | 0.83 | TSHR (0.59) | TSHRCYP2C19CRHBPCRHR2CYP2D6 | |
| SCHEMBL12957084 | 0.82 | TSHR (0.63) | TSHRCYP2C19CRHBPCRHR2CYP2D6 | |
| Nitrogen SCHEMBL4599425 | 0.81 | TSHR (0.68) | TSHRCYP2C19CRHBPCRHR2CYP2D6 | |
| SCHEMBL2960872 | 0.80 | CYP2C19 (0.78) | TSHRCYP2C19CRHBPCRHR2CYP2D6 | |
| SCHEMBL4162431 | 0.79 | TSHR (0.55) | TSHRCYP2C19CRHBPCRHR2CYP2D6 | |
| SCHEMBL7354477 | 0.77 | TSHR (0.63) | TSHRCYP2C19CRHBPCRHR2CYP2D6 | |
| SCHEMBL6910124 | 0.77 | TSHR (0.63) | TSHRCYP2C19CRHBPCRHR2CYP2D6 |
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 8 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 |
| CN-1091288-A | The oxytocin antagonist | OTSUKA PHARMA CO LTD (JP) | 1994-08-31 | — | — | CN | 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 |
| CN-1046529-A | Carbostyril derivative | OTSUKA PHARMA CO LTD (JP) | 1990-10-31 | — | — | CN | disclosed |