Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | PDE4A | P27815 | 9/20 | 0.53 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.53 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.53 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | TNF | P01375 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMPD1 | P17405 | 4/20 | 0.40 |
| ▸ | MPO | P05164 | 1/20 | 0.39 |
| ▸ | FPR2 | P25090 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8064807 | 0.95 | TSHR (0.53) | TSHRPDE4APDE4DPDE4BPDE4C | |
| SCHEMBL8059997 | 0.93 | TSHR (0.47) | TSHRPDE4APDE4DPDE4BPDE4C | |
| SCHEMBL8058003 | 0.90 | TSHR (0.51) | TSHRPDE4APDE4DPDE4BPDE4C | |
| SCHEMBL3757194 | 0.88 | TSHR (0.45) | TSHRPDE4APDE4DPDE4BPDE4C | |
| SCHEMBL9778850 | 0.87 | TSHR (0.57) | TSHRPDE4APDE4DPDE4BPDE4C | |
| SCHEMBL30669513 | 0.84 | TSHR (0.67) | TSHRPDE4APDE4DPDE4BPDE4C | |
| SCHEMBL8057984 | 0.84 | TSHR (0.67) | TSHRPDE4APDE4DPDE4BPDE4C | |
| SCHEMBL8059968 | 0.84 | TSHR (0.47) | TSHRPDE4APDE4DPDE4BPDE4C | |
| SCHEMBL9778782 | 0.82 | TSHR (0.57) | TSHRPDE4AMAPK1MAPTKDM4E | |
| SCHEMBL9778817 | 0.80 | TSHR (0.50) | TSHRPDE4AMAPTKDM4EMEN1 |
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-1004623-A1 | Aryl thioacetals useful as stabilizers in polymeric materials | GREAT LAKES CHEMICAL CORPORATION (US) | 2000-05-31 | — | — | EP | disclosed |
| US-4127588-A | Sulphur containing derivatives | HOFFMANN-LA ROCHE INC. (US) | 1978-11-28 | — | — | US | disclosed |
| US-4073797-A | CORONARY DILATOR | HOFFMANN-LA ROCHE INC. (US) | 1978-02-14 | — | — | US | disclosed |
| US-4003914-A | DITHIANE AND DISULFONE CORONARY DILATING AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1977-01-18 | — | — | US | disclosed |