Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.59 |
| ▸ | CES1 | P23141 | 1/20 | 0.59 |
| ▸ | PARP1 | P09874 | 1/20 | 0.56 |
| ▸ | PDE4A | P27815 | 2/20 | 0.55 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.55 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.55 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.55 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.54 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.51 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.51 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.51 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9520444 | 0.95 | MTNR1A (0.57) | CES2CES1PARP1PDE4APDE4B | |
| SCHEMBL9520429 | 0.95 | MTNR1A (0.57) | CES2CES1PARP1PDE4APDE4B | |
| SCHEMBL9520437 | 0.95 | MTNR1A (0.57) | CES2CES1PARP1PDE4APDE4B | |
| SCHEMBL9521029 | 0.91 | NPC1 (0.61) | CES2CES1PARP1PDE4APDE4B | |
| SCHEMBL9521022 | 0.91 | NPC1 (0.61) | CES2CES1PARP1PDE4APDE4B | |
| SCHEMBL10399040 | 0.91 | NPC1 (0.61) | CES2CES1PARP1PDE4APDE4B | |
| SCHEMBL9521399 | 0.89 | NPC1 (0.49) | CES2CES1PARP1PDE4APDE4B | |
| SCHEMBL9521397 | 0.89 | NPC1 (0.49) | CES2CES1PARP1PDE4APDE4B | |
| SCHEMBL21437264 | 0.85 | NPC1 (0.49) | CES2CES1PARP1PDE4APDE4B | |
| SCHEMBL24554791 | 0.84 | CES2 (0.58) | CES2CES1PARP1PDE4APDE4B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0299379-B1 | PENTADIENAMIDE PAF-ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-21 | — | — | EP | disclosed |
| US-4975438-A | ANTICOAGULANT | HOFFMANN-LA ROCHE INC. (US) | 1990-12-04 | — | — | US | disclosed |
| EP-0299379-A1 | Pentadienamide PAF-antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 1989-01-18 | — | — | EP | disclosed |
| US-4788206-A | CARDIOVASCULAR DISORDERS, PLATELETS | HOFFMANN-LA ROCHE INC. (US) | 1988-11-29 | — | — | US | disclosed |