Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.33 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.32 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.32 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | LTA4H | P09960 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7339109 | 0.80 | HRH3 (0.40) | HRH3LTA4H | |
| SCHEMBL7337041 | 0.79 | NPC1 (0.47) | NPC1MCHR1ITGB3ITGA2B | |
| SCHEMBL7338810 | 0.79 | NPC1 (0.39) | NPC1MCHR1ITGB3ITGA2BPSMB1 | |
| SCHEMBL7343169 | 0.75 | NPC1 (0.43) | NPC1ITGB3ITGA2BMEN1KMT2A | |
| SCHEMBL7348105 | 0.75 | NPC1 (0.38) | NPC1MCHR1 | |
| SCHEMBL7338813 | 0.75 | NPC1 (0.38) | NPC1HRH3MCHR1 | |
| SCHEMBL7342773 | 0.72 | NPC1 (0.35) | NPC1MCHR1 | |
| SCHEMBL7345298 | 0.72 | NPC1 (0.35) | NPC1MCHR1 | |
| SCHEMBL13939521 | 0.71 | NPC1 (0.88) | NPC1HRH3MCHR1PSMB1PSMB5 | |
| SCHEMBL16016535 | 0.71 | NPC1 (0.88) | NPC1HRH3MCHR1PSMB1PSMB5 |
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 |