Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | OGG1 | O15527 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL725519 | 0.94 | CES2 (0.54) | CES2CES1CA1CA2GSK3B | |
| SCHEMBL3050432 | 0.80 | CES2 (0.54) | CES2CES1CA1CA2GSK3B | |
| SCHEMBL11772991 | 0.80 | CES2 (0.54) | CES2CES1CA1CA2GSK3B | |
| SCHEMBL13175931 | 0.79 | ALDH1A1 (0.52) | RAB9AMAPTALDH1A1NQO2NPC1 | |
| SCHEMBL13175610 | 0.79 | ALDH1A1 (0.52) | RAB9AMAPTALDH1A1NQO2NPC1 | |
| SCHEMBL195600 | 0.78 | CES2 (0.52) | CES2CES1CA1CA2GSK3B | |
| SCHEMBL4656447 | 0.77 | CES2 (0.62) | CES2CES1CA1CA2GSK3B | |
| SCHEMBL177294 | 0.76 | MAPT (0.64) | CES2CES1HAO1CA1CA2 | |
| SCHEMBL727083 | 0.76 | CA2 (0.55) | CES2CES1CA2GSK3BLMNA | |
| SCHEMBL8519631 | 0.76 | ESR1 (0.50) | CES2CA1CA2LMNAMAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1388538-B1 | Polymerisation Initiator | MERCK PATENT GMBH (DE) | 2010-09-01 | — | — | EP | disclosed |
| EP-1388538-A1 | Polymerisation Initiator | MERCK PATENT GmbH (DE) | 2004-02-11 | — | — | EP | disclosed |