Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.54 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.51 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | CMA1 | P23946 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8554891 | 0.84 | KEAP1 (0.54) | KEAP1NFE2L2CYP2A6FFAR2MAPT | |
| SCHEMBL7546756 | 0.83 | CA2 (0.43) | MAPTCA2ALDH1A1SMN1; SMN2HSP90AB1 | |
| SCHEMBL8290149 | 0.82 | CYP2A6 (0.56) | KEAP1NFE2L2CYP2A6FFAR2MAPT | |
| SCHEMBL2650447 | 0.80 | KEAP1 (0.59) | KEAP1NFE2L2CYP2A6MAPTCA2 | |
| SCHEMBL3180015 | 0.79 | KEAP1 (0.54) | KEAP1NFE2L2CYP2A6FFAR2MAPT | |
| SCHEMBL10901085 | 0.78 | NR4A2 (0.52) | KEAP1NFE2L2CYP2A6MAPTCMA1 | |
| SCHEMBL8290147 | 0.78 | KEAP1 (0.56) | KEAP1NFE2L2CYP2A6FFAR2MAPT | |
| SCHEMBL7540393 | 0.77 | HDAC3 (0.57) | CYP2A6MAPTHTR1AMEN1ALDH1A1 | |
| SCHEMBL10197823 | 0.76 | CYP2A6 (0.49) | KEAP1NFE2L2CYP2A6FFAR2MAPT | |
| SCHEMBL7498066 | 0.76 | CYP2A6 (0.49) | KEAP1NFE2L2CYP2A6FFAR2MAPT |
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-1187836-A1 | SUBSTITUTED IMIDAZOTHIAZOLES AS ANTIDEPRESSANT AGENTS | Knoll GmbH (DE) | 2002-03-20 | — | — | EP | disclosed |
| WO-2000071548-A1 | SUBSTITUTED IMIDAZOTHIAZOLES AS ANTIDEPRESSANT AGENTS | KNOLL GMBH (DE) | 2000-11-30 | — | — | WO | disclosed |