Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.39 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.39 |
| ▸ | GRIA3 | P42263 | 2/20 | 0.39 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | GRM6 | O15303 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 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 | |
|---|---|---|---|---|
| SCHEMBL12972541 | 0.88 | ALDH1A1 (0.44) | ALDH1A1VCAM1MAPTHTTGRIA1 | |
| SCHEMBL8903008 | 0.81 | ALDH1A1 (0.53) | ALDH1A1MAPTALOX15CYP1A2TDP1 | |
| SCHEMBL19606264 | 0.81 | MAPT (0.50) | ALDH1A1VCAM1MAPTHTTGRIA1 | |
| SCHEMBL12972538 | 0.81 | MAPT (0.48) | ALDH1A1VCAM1MAPTHTTGRIA1 | |
| SCHEMBL9807537 | 0.80 | ALDH1A1 (0.51) | ALDH1A1MAPTALOX15CYP1A2TDP1 | |
| SCHEMBL458453 | 0.79 | VCAM1 (0.44) | ALDH1A1VCAM1MAPTHTTGRIA1 | |
| SCHEMBL23915452 | 0.77 | MAPT (0.43) | ALDH1A1VCAM1MAPTHTTGRIA1 | |
| SCHEMBL1259671 | 0.77 | AR (0.46) | AR | |
| SCHEMBL462851 | 0.77 | ALDH1A1 (0.49) | ALDH1A1MAPTALOX15CYP1A2TDP1 | |
| SCHEMBL203731 | 0.76 | AR (0.44) | AR |
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 |