Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 2/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6971119 | 0.89 | DRD2 (0.46) | ALDH1A1NPSR1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6964588 | 0.86 | AVPR2 (0.46) | ALDH1A1CYP3A4CYP2D6SMN1; SMN2DRD2 | |
| SCHEMBL6958687 | 0.84 | DRD3 (0.46) | ALDH1A1CYP2D6DRD2DRD4DRD3 | |
| SCHEMBL6955542 | 0.82 | ALDH1A1 (0.43) | ALDH1A1DRD2DRD4DRD3TSHR | |
| SCHEMBL6969761 | 0.81 | L3MBTL1 (0.43) | ALDH1A1SMN1; SMN2DRD2DRD4DRD3 | |
| SCHEMBL6969126 | 0.79 | L3MBTL1 (0.45) | ALDH1A1SMN1; SMN2DRD2DRD4DRD3 | |
| SCHEMBL7140109 | 0.78 | L3MBTL1 (0.45) | ALDH1A1SMN1; SMN2L3MBTL1HTR1AHPGD | |
| SCHEMBL6955643 | 0.77 | L3MBTL1 (0.46) | ALDH1A1NPSR1SMN1; SMN2L3MBTL1MEN1 | |
| SCHEMBL7352575 | 0.76 | ALDH1A1 (0.56) | ALDH1A1TSHRL3MBTL1HPGD | |
| SCHEMBL6961373 | 0.75 | AVPR2 (0.58) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0620216-B1 | Benzamide derivatives and their use as vasopressin antagonists | FUJISAWA PHARMACEUTICAL CO (JP) | 2003-01-08 | — | — | EP | disclosed |
| US-5521170-A | VASOPRESSIN ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1996-05-28 | — | — | US | disclosed |
| EP-0620216-A1 | Benzamide derivatives and their use as vasopressin antagonists | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1994-10-19 | — | — | EP | disclosed |