Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11249169 | 0.86 | SIGMAR1 (0.73) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL11241481 | 0.78 | SIGMAR1 (0.50) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL10832954 | 0.74 | SIGMAR1 (0.57) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL11052952 | 0.74 | SIGMAR1 (0.48) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL11054003 | 0.74 | SIGMAR1 (0.48) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL11239127 | 0.73 | OPRD1 (0.62) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL9813884 | 0.72 | SIGMAR1 (0.70) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL9813889 | 0.72 | SIGMAR1 (0.70) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL9749142 | 0.72 | SIGMAR1 (0.70) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL11048421 | 0.71 | SIGMAR1 (0.50) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR |
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-4360531-A | Substituted cycloalkanes | THE UPJOHN COMPANY (US) | 1982-11-23 | — | — | US | disclosed |