Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.47 |
| ▸ | CES1 | P23141 | 4/20 | 0.47 |
| ▸ | MDM2 | Q00987 | 3/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.37 |
| ▸ | CTSL | P07711 | 2/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL333382 | 0.79 | CES2 (0.59) | CES2CES1MAPK14HDAC1MEN1 | |
| SCHEMBL29367263 | 0.79 | CES2 (0.59) | CES2CES1MAPK14HDAC1MEN1 | |
| SCHEMBL4537134 | 0.75 | CES2 (0.63) | CES2CES1MDM2HDAC1MEN1 | |
| SCHEMBL27673772 | 0.74 | CES2 (0.74) | CES2CES1MDM2MEN1KMT2A | |
| SCHEMBL12196344 | 0.74 | CES2 (0.55) | CES2CES1MEN1KMT2ANPC1 | |
| SCHEMBL9037143 | 0.72 | LTA4H (0.61) | CES2CES1MAPK14MEN1KMT2A | |
| SCHEMBL2860775 | 0.72 | KDM4E (0.51) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL8606277 | 0.71 | ATM (0.52) | MAPK14CTSLCTSKMEN1KMT2A | |
| SCHEMBL9766594 | 0.71 | ATM (0.52) | MAPK14CTSLCTSKMEN1KMT2A | |
| SCHEMBL20158111 | 0.70 | CES2 (0.57) | CES2CES1MDM2MEN1KMT2A |
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-2009132832-A2 | METHOD FOR THE PRODUCTION OF 1,4-BENZOTHIEPIN-1,1-DIOXIDE DERIVATIVES | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2009-11-05 | — | — | WO | disclosed |