Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 10/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | PLG | P00747 | 1/20 | 0.31 |
| ▸ | PLAU | P00749 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14896680 | 0.78 | HDAC1 (0.46) | IRAK4CES2CES1 | |
| SCHEMBL20469219 | 0.78 | ERN1 (0.31) | ERN1 | |
| SCHEMBL12156675 | 0.76 | LMNA (0.38) | CES2CES1 | |
| SCHEMBL15652131 | 0.74 | ERN1 (0.55) | ERN1CES2CES1 | |
| SCHEMBL22084095 | 0.72 | ALDH1A1 (0.47) | — | |
| SCHEMBL2981118 | 0.72 | ERN1 (0.54) | ERN1CES2CES1 | |
| SCHEMBL12703704 | 0.70 | ERN1 (0.42) | ERN1CES2CES1 | |
| SCHEMBL12439598 | 0.69 | ERN1 (0.40) | ERN1CES2CES1 | |
| SCHEMBL18962686 | 0.69 | PARP1 (0.48) | CES2CES1 | |
| SCHEMBL25215904 | 0.68 | HDAC6 (0.59) | — |
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-2013074387-A1 | IMIDAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2013-05-23 | — | — | WO | disclosed |