Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA7 | P43166 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.34 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.34 |
| ▸ | TNFSF11 | O14788 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | HMGCR | P04035 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7784289 | 0.78 | GRIN2D (0.43) | CA1CA2CA7CA9GRIN2D | |
| SCHEMBL29154360 | 0.73 | GRIN2D (0.43) | CA1CA2CA7CA9HTT | |
| SCHEMBL7786935 | 0.67 | GRIN2D (0.43) | CA1CA7CA9GRIN2DGRIN3B | |
| SCHEMBL28150151 | 0.67 | MAPT (0.40) | PDE3BPDE3AMAOACYP3A4MAPT | |
| SCHEMBL7695905 | 0.67 | GRIN2D (0.34) | CA1CA2CA7CA9GRIN2D | |
| SCHEMBL8049463 | 0.65 | GRIN2D (0.32) | CA1CA2CA7CA9GRIN2D | |
| SCHEMBL4610630 | 0.65 | S100B (0.46) | CA1CA2HTTCYP3A4MAPT | |
| SCHEMBL30648558 | 0.65 | HTT (0.58) | CA1CA2HTTHMGCRCYP3A4 | |
| SCHEMBL1987450 | 0.65 | HTT (0.58) | CA1CA2HTTHMGCRCYP3A4 | |
| SCHEMBL4532734 | 0.64 | CYP3A4 (0.53) | CA1CA2CA7CA9GRIN2D |
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-0624584-B1 | Piperazine derivatives useful as calmodulin inhibitors | DAIICHI SEIYAKU CO (JP) | 1998-08-19 | — | — | EP | disclosed |
| US-5681954-A | HAS CALMODULIN INHIBITORY ACTIVITY; USEFUL IN TREATING DISEASES OF THE CIRCULATORY ORGANS OR IN CEREBRAL REGION | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1997-10-28 | — | — | US | disclosed |
| EP-0624584-A1 | Piperazine derivatives useful as calmodolin inhibitors | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1994-11-17 | — | — | EP | disclosed |