Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | MTNR1A | P48039 | 8/20 | 0.55 |
| ▸ | MTNR1B | P49286 | 8/20 | 0.55 |
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | NQO2 | P16083 | 6/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL8723749 | 0.78 | GAA (0.65) | CYP3A4CYP2C19CYP1A2MTNR1AMTNR1B | |
| SCHEMBL6572119 | 0.75 | RAB9A (0.63) | ALDH1A1CYP3A4CYP2C19CYP1A2NPC1 | |
| SCHEMBL636601 | 0.73 | RAB9A (0.64) | ALDH1A1CYP3A4CYP2C19CYP1A2NPC1 | |
| SCHEMBL28074773 | 0.73 | RAB9A (0.64) | ALDH1A1CYP3A4CYP2C19CYP1A2NPC1 | |
| SCHEMBL6574255 | 0.72 | CYP3A4 (0.52) | ALDH1A1CYP3A4CYP2C19CYP1A2MTNR1A | |
| SCHEMBL28522823 | 0.72 | CYP3A4 (0.53) | ALDH1A1CYP3A4CYP2C19CYP1A2MTNR1A | |
| SCHEMBL16428848 | 0.72 | MTNR1A (0.55) | ALDH1A1CYP3A4CYP2C19CYP1A2MTNR1A | |
| SCHEMBL1880932 | 0.71 | NPC1 (0.62) | ALDH1A1CYP3A4CYP2C19CYP1A2MTNR1A | |
| SCHEMBL31467930 | 0.71 | CYP3A4 (0.51) | CYP3A4CYP1A2MTNR1AMTNR1BSMN1; SMN2 | |
| SCHEMBL874472 | 0.70 | RAB9A (0.60) | ALDH1A1CYP3A4CYP2C19CYP1A2NPC1 |
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 |