Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 10/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | THPO | P40225 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6724480 | 0.78 | SIGMAR1 (0.46) | SIGMAR1CYP11B1CYP11B2CYP2D6TSHR | |
| SCHEMBL18725829 | 0.68 | CYP11B1 (0.45) | CYP11B1CYP11B2SCN2ATSHR | |
| SCHEMBL5057384 | 0.68 | SIGMAR1 (0.49) | SIGMAR1TP53CYP2D6TSHRTHPO | |
| SCHEMBL4226559 | 0.64 | ALDH1A1 (0.52) | CYP11B1CYP11B2TSHR | |
| SCHEMBL5373055 | 0.64 | CYP11B1 (0.47) | CYP11B1CYP11B2TSHR | |
| SCHEMBL5379940 | 0.64 | CYP11B1 (0.51) | CYP11B1CYP11B2TSHR | |
| Hydrochloric Acid SCHEMBL27532840 | 0.63 | CYP11B1 (0.50) | CYP11B1CYP11B2TSHR | |
| Acenaphthene SCHEMBL27777727 | 0.62 | HSD17B10 (0.55) | CYP11B1CYP11B2TSHR | |
| SCHEMBL6724194 | 0.62 | SIGMAR1 (1.00) | SIGMAR1TP53CYP2D6TSHRTHPO | |
| SCHEMBL29673996 | 0.62 | CYP11B1 (0.41) | CYP11B1CYP11B2TSHR |
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-1999002145-A1 | COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES | CAMBRIDGE NEUROSCIENCE, INC. (US) | 1999-01-21 | — | — | WO | disclosed |