Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.49 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.43 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL26999493 | 0.88 | CHRNB4 (0.65) | MEN1KMT2AGAAALDH1A1TSHR | |
| SCHEMBL11456174 | 0.80 | CHRNB4 (0.74) | KMT2AALDH1A1CHRNB4CHRNA3CHRNB2 | |
| SCHEMBL11466376 | 0.80 | CHRNB4 (0.51) | CHRNB4CHRNA3HSP90AA1CYP1A2CYP2C9 | |
| SCHEMBL9427724 | 0.78 | HSP90AA1 (0.46) | CHRNB4CHRNA3HSP90AA1CHRNB2CHRNA4 | |
| SCHEMBL11466924 | 0.78 | CHRNB4 (0.50) | GAACHRNB4CHRNA3MAPTCHRNB2 | |
| SCHEMBL11466925 | 0.78 | CHRNB4 (0.54) | ALDH1A1CHRNB4CHRNA3CYP2C19CHRNB2 | |
| SCHEMBL8902416 | 0.78 | MAPT (0.57) | MEN1KMT2AALDH1A1MAPTHTT | |
| SCHEMBL11717925 | 0.78 | DRD2 (0.43) | CHRNB4CHRNA3CHRNB2CHRNA4TP53 | |
| SCHEMBL11449105 | 0.77 | CHRNB4 (0.68) | KMT2AALDH1A1CHRNB4CHRNA3CHRNB2 | |
| SCHEMBL11449118 | 0.77 | CHRNB4 (0.47) | KMT2ACHRNB4CHRNA3HSP90AA1CYP1A2 |
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-1648426-A2 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS | Astex Therapeutics Limited (GB) | 2006-04-26 | — | — | EP | disclosed |
| WO-2005002552-A2 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2005-01-13 | — | — | WO | disclosed |