Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL23651679 | 0.83 | CES2 (0.33) | CES2CES1CYP1A2CYP2D6HSD17B10 | |
| SCHEMBL19750242 | 0.79 | MAPT (0.33) | CES2CES1HSD17B10RECQLATM | |
| SCHEMBL18460837 | 0.78 | ATM (0.38) | CES2CES1RECQLATM | |
| SCHEMBL28085607 | 0.78 | ATM (0.38) | CES2CES1RECQLATM | |
| SCHEMBL14234423 | 0.77 | AKT1 (0.38) | CES2CES1RECQLATM | |
| SCHEMBL20244292 | 0.77 | RECQL (0.32) | CES2CES1RECQLATM | |
| SCHEMBL16129532 | 0.76 | ATM (0.35) | CYP1A2CYP2D6HSD17B10RECQLATM | |
| SCHEMBL16311301 | 0.72 | RECQL (0.38) | CES2CES1HSD17B10RECQLATM | |
| SCHEMBL14278652 | 0.72 | CA12 (0.34) | CES2CES1CYP1A2CYP2D6HSD17B10 | |
| SCHEMBL18637080 | 0.72 | ATM (0.34) | CES2CES1RECQLATM |
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 |
|---|---|---|---|---|---|---|---|
| US-20210384443-A1 | COMPOUNDS THAT CAN BE USED IN AN ORGANIC ELECTRONIC DEVICE AS ACTIVE COMPOUNDS | MERCK PATENT GMBH (DE) | 2021-12-09 | — | — | US | disclosed |