Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 3/20 | 0.48 |
| ▸ | PDE5A | O76074 | 2/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 4/20 | 0.44 |
| ▸ | USP1 | O94782 | 1/20 | 0.44 |
| ▸ | WDR48 | Q8TAF3 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1216376 | 0.92 | CDK1 (0.55) | CDK1PDE5AAPPESR1PDE4A | |
| SCHEMBL13001901 | 0.87 | CCNE1 (0.52) | CDK1CDK2CCNE1 | |
| SCHEMBL5828183 | 0.87 | CCNE2 (0.52) | CDK1PDE5AAPPTMIGD3HTR2C | |
| SCHEMBL26784724 | 0.84 | CCNE2 (0.44) | CDK1PDE5AAPPPDE4APDE4B | |
| SCHEMBL20119583 | 0.83 | TMIGD3 (0.43) | CDK1PDE5AAPPPDE4APDE4B | |
| SCHEMBL14181335 | 0.81 | CDK1 (0.47) | CDK1PDE5AAPPPDE4APDE4B | |
| SCHEMBL3108534 | 0.81 | CCNE2 (0.61) | CDK1PDE5ACDK2MAPK1CCNE2 | |
| SCHEMBL28455889 | 0.81 | PDE2A (0.51) | CDK1APPUSP1WDR48TMIGD3 | |
| SCHEMBL5828151 | 0.81 | TMIGD3 (0.67) | CDK1USP1WDR48PDE4APDE4B | |
| SCHEMBL19459471 | 0.80 | TMIGD3 (0.68) | TMIGD3HTR2CHTR2B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6790958-B2 | ANTIPROLIFERATIVE AGENTS; FUNGICIDES | LUM ROBERT T (US) | 2004-09-14 | — | — | US | disclosed |