Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | ACP3 | P15309 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CTSA | P10619 | 12/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8995496 | 0.89 | ESR1 (0.38) | ESR1SLC6A2SLC6A4ACP3CYP3A4 | |
| SCHEMBL8286102 | 0.84 | ESR1 (0.43) | ESR1SLC6A2SLC6A4ACP3CYP3A4 | |
| SCHEMBL8351658 | 0.81 | HTR2A (0.34) | SLC6A4CYP2D6TSHR | |
| SCHEMBL8995486 | 0.80 | ESR1 (0.37) | ESR1SLC6A2SLC6A4ACP3CYP3A4 | |
| SCHEMBL29295705 | 0.79 | ADRB2 (0.41) | SLC6A2SLC6A4CYP2D6CTSA | |
| SCHEMBL30878580 | 0.79 | HTT (0.38) | CYP3A4CYP2D6 | |
| SCHEMBL11628582 | 0.78 | ESR1 (0.42) | ESR1SLC6A2SLC6A4ACP3CYP3A4 | |
| SCHEMBL185644 | 0.78 | CTSA (0.42) | CTSA | |
| SCHEMBL9640976 | 0.77 | SLC6A4 (0.50) | SLC6A2SLC6A4 | |
| SCHEMBL9330275 | 0.75 | CYP19A1 (0.49) | ESR1SLC6A2SLC6A4ACP3CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010131145-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | disclosed |