Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTNNB1 | P35222 | 2/20 | 0.65 |
| ▸ | WNT3A | P56704 | 2/20 | 0.65 |
| ▸ | THRA | P10827 | 1/20 | 0.64 |
| ▸ | THRB | P10828 | 1/20 | 0.64 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.61 |
| ▸ | PDE4A | P27815 | 3/20 | 0.61 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.61 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.61 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.57 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.56 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL9588048 | 0.98 | THRA (0.66) | CTNNB1WNT3ATHRATHRBPDE4D | |
| SCHEMBL4861157 | 0.95 | CTNNB1 (0.67) | CTNNB1WNT3ATHRATHRBPDE4D | |
| SCHEMBL29670763 | 0.95 | CTNNB1 (0.67) | CTNNB1WNT3ATHRATHRBPDE4D | |
| SCHEMBL31556192 | 0.93 | CTNNB1 (0.73) | CTNNB1WNT3ATHRATHRBPDE4D | |
| SCHEMBL31556194 | 0.92 | CTNNB1 (0.71) | CTNNB1WNT3ATHRATHRBPDE4D | |
| SCHEMBL30313764 | 0.88 | CTNNB1 (0.71) | CTNNB1WNT3ATHRATHRBPDE4D | |
| SCHEMBL6600362 | 0.88 | CTNNB1 (0.71) | CTNNB1WNT3ATHRATHRBPDE4D | |
| SCHEMBL22390229 | 0.88 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2C9CYP2C19HSD17B3 | |
| SCHEMBL9119840 | 0.87 | CTNNB1 (0.65) | CTNNB1WNT3ATHRATHRBPDE4D | |
| SCHEMBL20476155 | 0.86 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2C9CYP2C19HSD17B3 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1037510-C | Indole derivatives | HOFFMANN LA ROCHE (CH) | 1998-02-25 | — | — | CN | claimed |
| EP-0607217-A1 | PYRIDINOL DERIVATIVES AS MEDICAMENTS | SMITHKLINE BEECHAM PLC (GB) | 1994-07-27 | — | — | EP | disclosed |
| EP-0299379-B1 | PENTADIENAMIDE PAF-ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-21 | — | — | EP | disclosed |
| WO-1993007137-A1 | PYRIDINOL DERIVATIVES AS MEDICAMENTS | SMITHKLINE BEECHAM PLC (GB) | 1993-04-15 | — | — | WO | 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 |