Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 12/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.52 |
| ▸ | NPC1 | O15118 | 11/20 | 0.52 |
| ▸ | MAPT | P10636 | 10/20 | 0.52 |
| ▸ | RAB9A | P51151 | 10/20 | 0.52 |
| ▸ | HPGD | P15428 | 10/20 | 0.52 |
| ▸ | MEN1 | O00255 | 8/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.52 |
| ▸ | TP53 | P04637 | 6/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.52 |
| ▸ | GAA | P10253 | 4/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.52 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.52 |
| ▸ | RELA | Q04206 | 2/20 | 0.52 |
| ▸ | APP | P05067 | 1/20 | 0.52 |
| ▸ | SNCA | P37840 | 1/20 | 0.52 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.52 |
| ▸ | CACNA1B | Q00975 | 3/20 | 0.52 |
| ▸ | APBA1 | Q02410 | 3/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL8130390 | 0.91 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2KDM4ENPC1MAPT | |
| SCHEMBL9032997 | 0.85 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2KDM4ENPC1MAPT | |
| SCHEMBL5761334 | 0.84 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2KDM4ENPC1MAPT | |
| SCHEMBL3335014 | 0.84 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2KDM4ENPC1MAPT | |
| SCHEMBL8130397 | 0.82 | MEN1 (0.65) | ALDH1A1SMN1; SMN2KDM4ENPC1MAPT | |
| SCHEMBL7652407 | 0.82 | MMP13 (0.56) | ALDH1A1SMN1; SMN2KDM4ENPC1MAPT | |
| SCHEMBL13406021 | 0.81 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2KDM4ENPC1MAPT | |
| SCHEMBL7652952 | 0.81 | SMN1; SMN2 (0.56) | ALDH1A1SMN1; SMN2KDM4ENPC1MAPT | |
| SCHEMBL7653231 | 0.81 | SMN1; SMN2 (0.56) | ALDH1A1SMN1; SMN2KDM4ENPC1MAPT | |
| SCHEMBL1171146 | 0.80 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2KDM4ENPC1MAPT |
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 |