Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | SRC | P12931 | 2/20 | 0.45 |
| ▸ | ABL1 | P00519 | 1/20 | 0.45 |
| ▸ | CSF1R | P07333 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2364846 | 0.83 | PARP10 (0.49) | CYP3A4ACSS2POLBALOX5MEN1 | |
| SCHEMBL2361663 | 0.76 | HRH3 (0.49) | CYP3A4ACSS2RAB9ANPC1ALOX5 | |
| SCHEMBL20641328 | 0.76 | ACSS2 (0.49) | CYP3A4ACSS2POLBRAB9ANPC1 | |
| SCHEMBL1282890 | 0.74 | DRD3 (0.56) | HRH3 | |
| SCHEMBL21803205 | 0.73 | ACSS2 (0.66) | CYP3A4ACSS2RAB9ANPC1ALOX5 | |
| SCHEMBL21244769 | 0.72 | MEN1 (0.55) | RAB9ANPC1ALOX5MEN1KMT2A | |
| SCHEMBL26011466 | 0.72 | SRD5A2 (0.54) | RAB9ANPC1ALOX5MEN1KMT2A | |
| SCHEMBL7274396 | 0.72 | POLB (0.55) | POLBRAB9ANPC1MEN1KMT2A | |
| SCHEMBL2362119 | 0.71 | ALDH1A1 (0.60) | CYP3A4POLBRAB9ANPC1MEN1 | |
| SCHEMBL1980314 | 0.70 | HSD17B10 (0.57) | POLBRAB9ANPC1KMT2AGAA |
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 |