Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | OGG1 | O15527 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 2/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10151288 | 0.78 | CES2 (0.39) | CES2CES1CA1CA2NQO2 | |
| SCHEMBL24288500 | 0.78 | ALDH1A1 (0.40) | CES2CES1NQO2SLC22A2SLC22A1 | |
| SCHEMBL4535484 | 0.77 | F2 (0.48) | RECQLCES2CES1CA1CA2 | |
| SCHEMBL16173855 | 0.75 | WDR5 (0.55) | NQO2GSK3BNPC1SMN1; SMN2 | |
| SCHEMBL12323477 | 0.73 | RECQL (0.55) | RECQLCES2CES1OGG1CA1 | |
| SCHEMBL27610595 | 0.73 | RECQL (0.55) | RECQLCES2CES1OGG1CA1 | |
| SCHEMBL22797130 | 0.70 | CA12 (0.40) | CES2CES1CA1CA2NQO2 | |
| SCHEMBL204318 | 0.69 | LMNA (0.59) | RECQLNQO2PLAUALDH1A1 | |
| SCHEMBL8230207 | 0.69 | ALDH1A1 (0.49) | CA1CA2NPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL2559456 | 0.68 | RECQL (1.00) | RECQLCES2CES1OGG1CA1 |
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-2411396-B1 | THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS | GLENMARK PHARMACEUTICALS SA (CH) | 2013-05-29 | — | — | EP | disclosed |