Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | GBA1 | P04062 | 2/20 | 0.32 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Cyclopentane SCHEMBL9063672 | 0.86 | ESR1 (0.40) | ESR1ESR2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL16260127 | 0.86 | ESR1 (0.40) | ESR1ESR2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4986081 | 0.86 | ESR1 (0.40) | ESR1ESR2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14306984 | 0.86 | ESR1 (0.40) | ESR1ESR2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL330190 | 0.86 | — | — | |
| SCHEMBL738125 | 0.86 | ESR1 (0.40) | ESR1ESR2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13646378 | 0.86 | ESR1 (0.40) | ESR1ESR2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL20903 | 0.86 | — | — | |
| SCHEMBL13973760 | 0.86 | ESR1 (0.40) | ESR1ESR2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13825653 | 0.86 | ESR1 (0.40) | ESR1ESR2CYP3A4CYP2D6CYP2C9 |
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-7144902-B1 | Prodrugs of thrombin inhibitors | ABBOTT GMBH & CO. KG (DE) | 2006-12-05 | — | — | US | disclosed |