Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.40 |
| ▸ | DRD3 | P35462 | 3/20 | 0.36 |
| ▸ | DRD2 | P14416 | 3/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | HRH2 | P25021 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16340546 | 0.76 | SIGMAR1 (0.71) | ABCB1ABCG2SIGMAR1BACE1ADRA1A | |
| SCHEMBL16373144 | 0.74 | ABCB1 (0.47) | ABCB1ABCG2SIGMAR1DRD2HTR5A | |
| SCHEMBL16373181 | 0.73 | MAOA (0.63) | DRD3DRD2CHRM2HTR1ACHRM5 | |
| SCHEMBL16373180 | 0.68 | AKR1B10 (0.44) | DRD3DRD2CHRM2HTR1ACHRM5 | |
| SCHEMBL16340059 | 0.65 | SIGMAR1 (0.77) | ABCB1ABCG2SIGMAR1ADRA1A | |
| SCHEMBL2443854 | 0.65 | CXCR4 (0.54) | BACE1MEN1KMT2A | |
| SCHEMBL20135920 | 0.64 | SIGMAR1 (0.65) | ABCB1ABCG2SIGMAR1 | |
| SCHEMBL17782062 | 0.63 | SIGMAR1 (0.64) | SIGMAR1HTR1A | |
| SCHEMBL17782052 | 0.63 | SIGMAR1 (0.71) | ABCB1ABCG2SIGMAR1ADRA1A | |
| SCHEMBL2444796 | 0.63 | BACE1 (0.48) | BACE1HRH3 |
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-2014207241-A1 | NEW Na-SUBSTITUTED CARBOLINE COMPOUNDS USABLE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | ALZPROTECT (FR) | 2014-12-31 | — | — | WO | disclosed |