Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 11/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.34 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.34 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24394563 | 0.88 | NPC1 (0.53) | NPC1LTA4HHRH3CYP1A2 | |
| SCHEMBL22666645 | 0.88 | NPC1 (0.49) | NPC1LTA4HHRH3 | |
| SCHEMBL18912343 | 0.84 | NPC1 (0.56) | NPC1LTA4HHRH3CYP1A2PSMB1 | |
| SCHEMBL13939521 | 0.80 | NPC1 (0.88) | NPC1LTA4HHRH3CYP1A2PSMB1 | |
| SCHEMBL16016535 | 0.80 | NPC1 (0.88) | NPC1LTA4HHRH3CYP1A2PSMB1 | |
| SCHEMBL13367 | 0.79 | NPC1 (0.66) | NPC1LTA4HHRH3CYP1A2PSMB1 | |
| SCHEMBL18082747 | 0.79 | CYP1A2 (0.39) | NPC1LTA4HHRH3CYP1A2 | |
| SCHEMBL11533203 | 0.79 | HRH3 (0.51) | NPC1LTA4HHRH3CYP1A2 | |
| SCHEMBL11540227 | 0.76 | NPC1 (0.47) | NPC1HRH3PSMB1PSMB5PSMB2 | |
| SCHEMBL385701 | 0.74 | NPC1 (0.63) | NPC1LTA4HHRH3CYP1A2PSMB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4139620-A | HYPOTENSIVE AGENTS | A. H. ROBINS COMPANY, INC. (US) | 1979-02-13 | — | — | US | disclosed |
| US-4096331-A | HYPOTENSIVE | A. H. ROBINS COMPANY, INCORPORATED (US) | 1978-06-20 | — | — | US | disclosed |