Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28174234 | 0.84 | SIGMAR1 (0.41) | SIGMAR1KCNH2HTR7SLC6A3CNR2 | |
| SCHEMBL18963419 | 0.83 | KDM4E (0.44) | HTR7CNR2POLB | |
| SCHEMBL11176669 | 0.78 | SIGMAR1 (0.49) | SIGMAR1KCNH2ESR1ESR2SLC6A3 | |
| SCHEMBL8021252 | 0.78 | SIGMAR1 (0.49) | SIGMAR1KCNH2ESR1ESR2SLC6A3 | |
| SCHEMBL8229783 | 0.78 | SIGMAR1 (0.49) | SIGMAR1KCNH2ESR1ESR2SLC6A3 | |
| SCHEMBL22620143 | 0.78 | ALDH1A1 (0.50) | CNR2TDP1 | |
| SCHEMBL707809 | 0.78 | MAPT (0.55) | KCNH2SLC6A3TDP1 | |
| SCHEMBL2589900 | 0.77 | MEN1 (0.51) | SIGMAR1KCNH2ESR1TDP1 | |
| SCHEMBL157807 | 0.77 | MEN1 (0.51) | SIGMAR1KCNH2ESR1TDP1 | |
| SCHEMBL9808066 | 0.77 | SIGMAR1 (0.47) | SIGMAR1KCNH2HTR7ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2146961-B1 | N-OXIDE AND/OR DI-N-OXIDE DERIVATIVES OF DOPAMINE RECEPTOR STABILIZERS/MODULATORS DISPLAYING IMPROVED CARDIOVASCULAR SIDE-EFFECTS PROFILES | IVAX INT GMBH (CH) | 2014-01-29 | — | — | EP | disclosed |