Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.47 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | DAO | P14920 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 3/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | MMP14 | P50281 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 2/20 | 0.40 |
| ▸ | PPARA | Q07869 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11101026 | 0.95 | TSHR (0.58) | CYP2A6TSHRHSD17B10LOXL2KCNJ1 | |
| SCHEMBL11617640 | 0.88 | LOXL2 (0.52) | CYP2A6TSHRHSD17B10LOXL2KCNJ1 | |
| SCHEMBL1680712 | 0.87 | CYP2A6 (0.53) | CYP2A6TSHRHSD17B10LOXL2KCNJ1 | |
| SCHEMBL1338721 | 0.83 | KCNH2 (0.41) | TSHRKCNH2ALDH1A1RAB9A | |
| SCHEMBL11102988 | 0.82 | TSHR (0.61) | CYP2A6TSHRHSD17B10LOXL2KCNJ1 | |
| SCHEMBL17450288 | 0.81 | ACACB (0.33) | CYP2A6KCNH2RAB9A | |
| SCHEMBL15165830 | 0.80 | CYP2A6 (0.54) | CYP2A6TSHRHSD17B10LOXL2KCNJ1 | |
| SCHEMBL1534961 | 0.80 | CYP2A6 (0.59) | CYP2A6TSHRHSD17B10LOXL2KCNJ1 | |
| SCHEMBL11104834 | 0.80 | TSHR (0.67) | CYP2A6TSHRHSD17B10ALDH1A1HRH3 | |
| SCHEMBL24637999 | 0.79 | GLA (0.49) | KCNJ1KCNH2DAOCYP19A1HRH3 |
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-2202232-A1 | 1,2,4-oxadiazole derivatives and their therapeutic use | Laboratorios Almirall, S.A. (ES) | 2010-06-30 | — | — | EP | disclosed |