Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 14/20 | 0.49 |
| ▸ | NFATC1 | O95644 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| Isothiocyanate SCHEMBL2890456 | 0.90 | GPBAR1 (0.43) | GPBAR1NFATC1GSK3BDYRK1AIDO1 | |
| SCHEMBL19721401 | 0.84 | GRM4 (0.49) | GPBAR1MAOAMAOBLIMK1CYP1A2 | |
| SCHEMBL25680121 | 0.82 | GPBAR1 (0.41) | GPBAR1NFATC1GSK3BDYRK1AIDO1 | |
| SCHEMBL31301252 | 0.81 | GSK3B (0.59) | NFATC1GSK3BDYRK1AIDO1MAOA | |
| SCHEMBL12811651 | 0.79 | CYP1A2 (0.51) | MAOAMAOBLIMK1CYP1A2CYP3A4 | |
| SCHEMBL3954650 | 0.77 | GSK3B (0.45) | NFATC1GSK3BDYRK1AIDO1MAOA | |
| SCHEMBL29068840 | 0.77 | MAOA (0.47) | GPBAR1NFATC1GSK3BDYRK1AIDO1 | |
| SCHEMBL4434876 | 0.77 | GPBAR1 (0.43) | GPBAR1MAOAMAOBLIMK1CYP1A2 | |
| SCHEMBL321560 | 0.77 | PLA2G7 (0.61) | — | |
| SCHEMBL20004071 | 0.77 | SLC22A12 (0.51) | GPBAR1GSK3BCYP1A2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1861387-B1 | BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF | DAE WOONG PHARMA (KR) | 2014-04-16 | — | — | EP | disclosed |