Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR4 | Q13639 | 3/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | CASP3 | P42574 | 2/20 | 0.34 |
| ▸ | CASP7 | P55210 | 2/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | AVPR2 | P30518 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4686129 | 0.91 | AVPR2 (0.41) | HTR4ACHECASP3CASP7ALDH1A1 | |
| SCHEMBL7335351 | 0.89 | ALDH1A1 (0.37) | CASP3CASP7RAB9AGAAALDH1A1 | |
| SCHEMBL4682685 | 0.87 | AVPR2 (0.40) | HTR4ACHECASP3CASP7AVPR2 | |
| SCHEMBL4685278 | 0.85 | AVPR2 (0.47) | AVPR2 | |
| SCHEMBL4685988 | 0.82 | AVPR2 (0.51) | CASP3CASP7AVPR2 | |
| SCHEMBL8630164 | 0.81 | TSHR (0.38) | RAB9AALDH1A1TSHRKDM4EMEN1 | |
| SCHEMBL4686344 | 0.80 | AVPR2 (0.41) | HTR4ACHECASP3CASP7ALDH1A1 | |
| SCHEMBL4685209 | 0.80 | ALDH1A1 (0.37) | CASP3CASP7RAB9AGAAALDH1A1 | |
| SCHEMBL4684124 | 0.78 | AVPR2 (0.49) | CASP3CASP7AVPR2 | |
| SCHEMBL4685743 | 0.78 | RAB9A (0.37) | CASP3CASP7RAB9AALDH1A1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1902717-A2 | Vasopressin antagonist and oxytocin antagonist | Otsuka Pharmaceutical Company, Limited (JP) | 2008-03-26 | — | — | EP | disclosed |
| EP-0620003-B1 | VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST | OTSUKA PHARMA CO LTD (JP) | 2008-01-16 | — | — | EP | disclosed |
| US-5622947-A | VASODILATORS, HYPOTENSIVE AGENTS, DIURETICS, PLATELET AGGLUTINATION INHIBITORS; ALSO USED TO PREVENT PREMATURE BIRTH, TREAT DYSMENORRHEA | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1997-04-22 | — | — | US | disclosed |
| EP-0514667-B1 | Benzazepin derivatives as vasopressin antagonists | OTSUKA PHARMA CO LTD (JP) | 1995-08-09 | — | — | EP | disclosed |
| EP-0620003-A1 | VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-10-19 | — | — | EP | disclosed |
| US-5244898-A | Vasopressin antagonist | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1993-09-14 | — | — | US | disclosed |
| EP-0514667-A1 | Benzazepin derivatives as vasopressin antagonists | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1992-11-25 | — | — | EP | disclosed |