Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.33 |
| ▸ | ADK | P55263 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | TDO2 | P48775 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HRH2 | P25021 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL533678 | 0.85 | NOS3 (0.33) | NOS3NOS1NOS2CXCR5ADK | |
| SCHEMBL534087 | 0.82 | CYP3A4 (0.34) | NOS3NOS1NOS2CXCR5ALDH1A1 | |
| SCHEMBL4303691 | 0.82 | POLB (0.35) | CD44ALDH1A1TDP1POLBCASP1 | |
| SCHEMBL28461470 | 0.81 | ALDH1A1 (0.32) | NOS3NOS1NOS2ADKKDM4E | |
| SCHEMBL8729891 | 0.81 | CXCR5 (0.35) | CXCR5KDM4ETDP1 | |
| SCHEMBL17512022 | 0.81 | OPRL1 (0.47) | — | |
| SCHEMBL3692902 | 0.78 | TDO2 (0.39) | TDO2KDM4EGAAMAPTBACE1 | |
| SCHEMBL8787861 | 0.77 | CD44 (0.43) | CD44CXCR5ADKKDM4EGAA | |
| SCHEMBL11901533 | 0.77 | ABCB1 (0.40) | HDAC1HDAC2TDO2KDM4EGAA | |
| SCHEMBL247757 | 0.77 | TDO2 (0.38) | NOS3NOS1NOS2ADKHDAC1 |
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-2011099832-A2 | NOVEL BENZIMIDAZOLE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | CRYSTALGENOMICS, INC. (KR) | 2011-08-18 | — | — | WO | disclosed |