Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | AHR | P35869 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL166276 | 0.92 | — | — | |
| Bromide SCHEMBL31124594 | 0.89 | LMNA (0.47) | LMNACYP2A6KEAP1HDAC8CA12 | |
| Hydrochloric Acid SCHEMBL28636364 | 0.89 | LMNA (0.47) | LMNACYP2A6KEAP1HDAC8CA12 | |
| SCHEMBL139848 | 0.86 | HDAC8 (0.50) | CYP1A2KEAP1HDAC8CA12CA1 | |
| SCHEMBL139611 | 0.86 | HDAC8 (0.50) | CYP1A2KEAP1HDAC8CA12CA1 | |
| Water SCHEMBL11190539 | 0.83 | HDAC8 (0.48) | CYP1A2KEAP1HDAC8CA12CA1 | |
| SCHEMBL10481156 | 0.83 | HDAC8 (0.48) | CYP1A2KEAP1HDAC8CA12CA1 | |
| SCHEMBL7106722 | 0.78 | MAOA (0.52) | CYP1A2LMNACA2CA9CA14 | |
| Formic Acid SCHEMBL27796019 | 0.78 | HSD17B10 (0.41) | CYP1A2LMNACYP2A6HDAC8CA12 | |
| SCHEMBL4101868 | 0.78 | HDAC8 (0.43) | CYP1A2KEAP1HDAC8CA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101589029-A | 1,2,3-triazole derivatives as sigma receptor inhibitors | ESTEVE LABOR (ES) | 2009-11-25 | — | — | CN | disclosed |