Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 9/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.37 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | RORB | Q92753 | 1/20 | 0.36 |
| ▸ | STIM1 | Q13586 | 1/20 | 0.35 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 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 | |
|---|---|---|---|---|
| SCHEMBL14534757 | 0.82 | CES2 (0.39) | RORCCES2CES1HSD11B1PTGS2 | |
| SCHEMBL503596 | 0.80 | CES2 (0.50) | RORCCES2CES1CYP2C9CYP3A4 | |
| SCHEMBL21518072 | 0.78 | CES2 (0.48) | RORCCES2CES1CYP2C9CYP3A4 | |
| SCHEMBL17054742 | 0.74 | CES2 (0.39) | RORCCES2CES1ITGA4RORB | |
| SCHEMBL476764 | 0.74 | CES2 (0.48) | RORCCES2CES1CYP2C9CYP3A4 | |
| SCHEMBL716995 | 0.74 | CES2 (0.48) | RORCCES2CES1PTGS2MEN1 | |
| SCHEMBL30313345 | 0.74 | CES2 (0.48) | RORCCES2CES1PTGS2MEN1 | |
| SCHEMBL20560651 | 0.74 | CES2 (0.39) | RORCCES2CES1CYP2C9CYP3A4 | |
| SCHEMBL3708513 | 0.74 | CES2 (0.48) | RORCCES2CES1PTGS2ITGA4 | |
| Hydrochloric Acid SCHEMBL4371024 | 0.73 | CES2 (0.47) | RORCCES2CES1PTGS2ITGA4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010020548-A1 | GLYT1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-02-25 | — | — | WO | disclosed |