Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 7/20 | 0.68 |
| ▸ | CNR2 | P34972 | 4/20 | 0.60 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.53 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.53 |
| ▸ | PDE4A | P27815 | 1/20 | 0.53 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28587123 | 0.81 | SMPD1 (1.00) | SMPD1CNR2PDE4BPDE4DPDE4A | |
| SCHEMBL28591269 | 0.81 | SMPD1 (1.00) | SMPD1CNR2PDE4BPDE4DPDE4A | |
| SCHEMBL4496535 | 0.79 | SMPD1 (0.72) | SMPD1PDE4B | |
| SCHEMBL9307263 | 0.78 | SMPD1 (0.76) | SMPD1CNR2PDE4B | |
| SCHEMBL9305512 | 0.78 | SMPD1 (0.75) | SMPD1PDE4BTP53 | |
| SCHEMBL3373445 | 0.78 | SMPD1 (0.71) | SMPD1CNR2PDE4B | |
| SCHEMBL28051119 | 0.78 | SMPD1 (0.75) | SMPD1PDE4BTP53 | |
| SCHEMBL28604170 | 0.78 | SMPD1 (0.75) | SMPD1PDE4BTP53 | |
| SCHEMBL14452333 | 0.77 | RAB9A (0.50) | CNR2HDAC3HDAC2 | |
| SCHEMBL1933162 | 0.77 | RAB9A (0.53) | SMPD1CNR2 |
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-6017919-A | Compounds and pharmaceutical use thereof | JAPAN TOBACCO INC. (JP) | 2000-01-25 | — | — | US | disclosed |
| EP-0887340-A1 | NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF | Japan Tobacco Inc. (JP) | 1998-12-30 | — | — | EP | disclosed |