Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | RECQL | P46063 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 4/20 | 0.36 |
| ▸ | NR3C2 | P08235 | 4/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3132764 | 0.84 | ALDH1A1 (0.43) | CYP2C9CYP3A4TSHRALDH1A1HSD17B10 | |
| Hydrochloric Acid SCHEMBL645734 | 0.82 | CYP2C9 (0.42) | CYP2C9CYP3A4TSHRALDH1A1HSD17B10 | |
| SCHEMBL9297596 | 0.82 | NT5E (0.46) | CYP2C9CYP3A4TSHRALDH1A1HSD17B10 | |
| SCHEMBL544443 | 0.81 | CA1 (0.41) | CYP3A4TSHRALDH1A1HSD17B10RECQL | |
| SCHEMBL6553103 | 0.81 | CA1 (0.47) | CYP3A4TSHRCA1CA2CA9 | |
| SCHEMBL10599464 | 0.80 | ALDH1A1 (0.41) | CYP2C9CYP3A4TSHRALDH1A1HSD17B10 | |
| SCHEMBL11590928 | 0.80 | CYP3A4 (0.41) | CYP2C9CYP3A4TSHRALDH1A1HSD17B10 | |
| SCHEMBL7904984 | 0.77 | TSHR (0.48) | CYP2C9CYP3A4TSHRALDH1A1HSD17B10 | |
| SCHEMBL342035 | 0.76 | ALDH1A1 (0.52) | CYP2C9CYP3A4TSHRALDH1A1HSD17B10 | |
| SCHEMBL28746009 | 0.75 | CYP2C9 (0.38) | CYP2C9CYP3A4TSHRALDH1A1HSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1934187-A1 | NOVEL BENZIMIDAZOLE AND BENZOTHIAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE IN PARTICULAR AS C-MET INHIBITORS | Aventis Pharma S.A. (FR) | 2008-06-25 | — | — | EP | disclosed |
| WO-2007036630-A1 | NOVEL BENZIMIDAZOLE AND BENZOTHIAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE IN PARTICULAR AS C-MET INHIBITORS | AVENTIS PHARMA S.A. (FR) | 2007-04-05 | — | — | WO | disclosed |