Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7340699 | 1.00 | NPC1 (0.41) | NPC1CYP1A2CYP2D6KCNH2HRH3 | |
| Hydrochloric Acid SCHEMBL7339932 | 0.99 | NPC1 (0.40) | NPC1CYP1A2CYP2D6KCNH2HRH3 | |
| Hydrochloric Acid SCHEMBL7339927 | 0.99 | NPC1 (0.40) | NPC1CYP1A2CYP2D6KCNH2HRH3 | |
| SCHEMBL7337662 | 0.72 | LTA4H (0.44) | NPC1KCNH2HRH3 | |
| SCHEMBL7343169 | 0.72 | NPC1 (0.43) | NPC1 | |
| SCHEMBL7342773 | 0.71 | NPC1 (0.35) | NPC1 | |
| SCHEMBL7345298 | 0.71 | NPC1 (0.35) | NPC1 | |
| SCHEMBL7337041 | 0.70 | NPC1 (0.47) | NPC1 | |
| SCHEMBL7345834 | 0.70 | NPC1 (0.47) | NPC1HRH3 | |
| SCHEMBL7340086 | 0.70 | LTA4H (0.44) | NPC1KCNH2HRH3 |
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-0578080-B1 | 3,9-disubstituted-spiro (5.5)undecanes active on the cardiovascular system, process for their preparation and pharmaceutical composition containing same | SIGMA TAU IND FARMACEUTI (IT) | 1997-04-23 | — | — | EP | disclosed |
| US-5444082-A | Treats hypertension and heart failure | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 1995-08-22 | — | — | US | disclosed |
| EP-0578080-A2 | 3,9-disubstituted-spiro (5.5)undecanes active on the cardiovascular system, process for their preparation and pharmaceutical composition containing same | Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) | 1994-01-12 | — | — | EP | disclosed |