Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 1/20 | 0.50 |
| ▸ | NOS2 | P35228 | 2/20 | 0.48 |
| ▸ | CTSK | P43235 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | PHGDH | O43175 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL996354 | 1.00 | — | — | |
| SCHEMBL6895963 | 1.00 | MGLL (0.50) | MGLLNOS2CTSKCES2CES1 | |
| SCHEMBL6888480 | 1.00 | MGLL (0.50) | MGLLNOS2CTSKCES2CES1 | |
| SCHEMBL1728406 | 0.97 | — | — | |
| SCHEMBL1127536 | 0.90 | — | — | |
| SCHEMBL467970 | 0.83 | — | — | |
| SCHEMBL3529310 | 0.82 | MGLL (0.37) | MGLLNOS2CTSKCES2CES1 | |
| SCHEMBL9051813 | 0.73 | NOS2 (0.53) | MGLLNOS2CTSKCES2CES1 | |
| SCHEMBL4456799 | 0.73 | MGLL (0.55) | MGLLNOS2CTSKCES2CES1 | |
| SCHEMBL28780293 | 0.71 | — | — |
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-2231652-B1 | NOVEL 2-HETARYL THIAZOLE-4-CARBOXAMIDE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT | Bayer Pharma AG (DE) | 2012-05-30 | — | — | EP | disclosed |