Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 9/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | HRH2 | P25021 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL20956735 | 0.85 | HCAR3 (0.40) | MAPTMAPK1L3MBTL1TDP1BCHE | |
| SCHEMBL23119916 | 0.85 | HCAR3 (0.40) | MAPTMAPK1L3MBTL1TDP1BCHE | |
| SCHEMBL19540704 | 0.85 | ECE1 (0.40) | GPR119APPHTR1AADRA2ADRD2 | |
| SCHEMBL19540504 | 0.85 | HDAC2 (0.41) | APPHTR1AADRA2ADRD2ADRA2B | |
| SCHEMBL19540689 | 0.84 | APP (0.51) | MAPTGPR119APPHTR1AADRA2A | |
| SCHEMBL19540621 | 0.81 | MAPT (0.38) | MAPTGPR119APPHTR1AADRA2A | |
| SCHEMBL22724881 | 0.80 | BRD3 (0.49) | MAPTGPR119 | |
| SCHEMBL29774856 | 0.76 | TGFBR1 (0.40) | CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL23119912 | 0.75 | HCAR3 (0.40) | MAPTMAPK1L3MBTL1TDP1BCHE | |
| SCHEMBL16657351 | 0.74 | MAPT (0.47) | MAPTGPR119LMNAKCNMA1POLB |
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-2017186147-A1 | BENZIMIDAZOLE-LINKED INDOLE COMPOUND ACTING AS NOVEL DIVALENT IAP ANTAGONIST | 南京明德新药研发股份有限公司 | 2017-11-02 | — | — | WO | disclosed |