Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 1/20 | 0.53 |
| ▸ | PPARD | Q03181 | 1/20 | 0.53 |
| ▸ | PPARA | Q07869 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | BLM | P54132 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | PDE4A | P27815 | 4/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.47 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.47 |
| ▸ | RECQL | P46063 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10774314 | 0.87 | ACHE (0.66) | PPARGPPARDPPARAACHECYP2D6 | |
| SCHEMBL3659342 | 0.87 | ACHE (0.66) | PPARGPPARDPPARAACHECYP2D6 | |
| SCHEMBL15870719 | 0.84 | ALDH1A1 (0.53) | MAPK1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL3049101 | 0.84 | ALDH1A1 (0.50) | PPARGPPARDPPARAMAPK1KMT2A | |
| SCHEMBL1223581 | 0.84 | ALDH1A1 (0.53) | MAPK1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL18857450 | 0.83 | ACHE (0.79) | PPARGPPARDPPARAACHEADRA1A | |
| Hydrochloric Acid SCHEMBL5123974 | 0.83 | ALDH1A1 (0.52) | MAPK1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL537738 | 0.82 | PDE4A (0.46) | PPARGPPARDPPARAACHEMAPK1 | |
| SCHEMBL537185 | 0.82 | PDE4A (0.46) | PPARGPPARDPPARAACHEMAPK1 | |
| SCHEMBL688521 | 0.82 | PDE4A (0.46) | PPARGPPARDPPARAACHEMAPK1 |
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-6025376-A | INHIBITORS OF TUMOR NECROSIS FACTOR, TREATING MULTIPLE SCLEROSIS | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-02-15 | — | — | US | disclosed |