Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.32 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1476931 | 0.78 | MEN1 (0.34) | ALDH1A1MEN1KMT2A | |
| SCHEMBL5953471 | 0.74 | SLC18A3 (0.49) | ALDH1A1SLC18A3CHRM5CHRM3SMN1; SMN2 | |
| SCHEMBL6971664 | 0.74 | SLC18A3 (0.49) | ALDH1A1SLC18A3CHRM5CHRM3SMN1; SMN2 | |
| SCHEMBL7344795 | 0.73 | GLA (0.35) | SMN1; SMN2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL7421281 | 0.73 | SLC18A3 (0.48) | ALDH1A1SLC18A3CHRM5CHRM3GAA | |
| Hydrochloric Acid SCHEMBL6498838 | 0.73 | SLC18A3 (0.48) | ALDH1A1SLC18A3CHRM5CHRM3GAA | |
| SCHEMBL9061088 | 0.71 | SLC18A3 (0.43) | ALDH1A1SLC18A3CHRM5CHRM1CHRM3 | |
| SCHEMBL3044885 | 0.71 | — | — | |
| SCHEMBL28024374 | 0.69 | CXCR4 (0.49) | ALDH1A1SLC18A3CHRM5CHRM3MEN1 | |
| SCHEMBL3533333 | 0.68 | — | — |
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 |