Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CHKA | P35790 | 1/20 | 0.44 |
| ▸ | ALOX5AP | P20292 | 4/20 | 0.39 |
| ▸ | FEN1 | P39748 | 4/20 | 0.39 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.37 |
| ▸ | NUDT1 | P36639 | 3/20 | 0.37 |
| ▸ | BRAF | P15056 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL558358 | 0.85 | CA2 (0.52) | CA2CHKAALOX5APFEN1AAK1 | |
| SCHEMBL19005020 | 0.79 | MIF (0.31) | NUDT1CYP11B1CYP11B2 | |
| SCHEMBL10187279 | 0.75 | MCHR1 (0.41) | CA2CHKAALOX5APFEN1NUDT1 | |
| SCHEMBL10188104 | 0.75 | ALDH1A1 (0.39) | CA2CHKAALOX5APFEN1ALDH1A1 | |
| SCHEMBL26647056 | 0.73 | ALOX5AP (0.36) | CA2CHKAALOX5APFEN1 | |
| SCHEMBL31157847 | 0.73 | ALOX5AP (0.36) | CA2CHKAALOX5APFEN1 | |
| SCHEMBL19679370 | 0.73 | CA2 (0.41) | CA2CHKAALOX5APFEN1NUDT1 | |
| SCHEMBL15933181 | 0.72 | CA2 (0.39) | CA2CHKAALOX5APFEN1BRAF | |
| SCHEMBL16291043 | 0.72 | MAPT (0.38) | CA2CHKAALOX5APFEN1ALDH1A1 | |
| SCHEMBL28200612 | 0.71 | CA2 (0.38) | CA2CHKAALOX5APFEN1ASIC3 |
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-2017102091-A1 | HETEROARYLBENZIMIDAZOLE COMPOUNDS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-06-22 | — | — | WO | disclosed |