Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 6/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 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 | |
|---|---|---|---|---|
| SCHEMBL2361819 | 0.88 | ALDH1A1 (0.48) | NPC1PKMNFKB1RAB9ANFKB2 | |
| SCHEMBL2362076 | 0.84 | RIPK1 (0.42) | BACE1IDH1 | |
| SCHEMBL18779170 | 0.71 | RORC (0.42) | NPC1PKMNFKB1RAB9ANFKB2 | |
| SCHEMBL2362150 | 0.70 | KDM4E (0.53) | NPC1RAB9ABACE1MAPTPTGER4 | |
| SCHEMBL31287243 | 0.70 | ALDH1A1 (0.53) | NPC1PKMNFKB1RAB9ANFKB2 | |
| SCHEMBL118588 | 0.70 | ALDH1A1 (0.53) | NPC1PKMNFKB1RAB9ANFKB2 | |
| SCHEMBL3592304 | 0.69 | L3MBTL1 (0.52) | NPC1PKMNFKB1RAB9ANFKB2 | |
| SCHEMBL5100488 | 0.68 | ALDH1A1 (0.51) | NPC1PKMNFKB1RAB9ANFKB2 | |
| SCHEMBL5156693 | 0.68 | SKP2 (0.49) | NPC1PKMNFKB1RAB9ANFKB2 | |
| SCHEMBL113117 | 0.68 | RAB9A (0.61) | NPC1PKMNFKB1RAB9ANFKB2 |
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 |