Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.56 |
| ▸ | CES1 | P23141 | 2/20 | 0.56 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2831834 | 0.84 | CYP3A4 (0.53) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL7668976 | 0.82 | PARP1 (0.45) | PARP1HDAC6CYP3A4POLBLMNA | |
| SCHEMBL7663441 | 0.81 | CES2 (0.59) | CES2POLBMAPK1LMNAMEN1 | |
| SCHEMBL1149077 | 0.80 | CYP3A4 (0.55) | CES2CES1CYP3A4TSHRPOLB | |
| SCHEMBL9954776 | 0.80 | CES2 (0.61) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL7670781 | 0.79 | CES2 (0.61) | CES2CES1PARP1TSHRMAPK1 | |
| SCHEMBL7658994 | 0.76 | CES2 (0.56) | CES2CES1CYP3A4TSHRPOLB | |
| SCHEMBL3169331 | 0.74 | CES2 (1.00) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL6589547 | 0.74 | CES2 (0.68) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL2834471 | 0.73 | CES2 (0.47) | CES2CES1PARP1HDAC1HDAC6 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0975584-B1 | SYNTHESIS AND USE OF ALPHA-KETOAMIDE DERIVATIVES AND ARRAYS | ARQULE INC (US) | 2002-09-25 | — | — | EP | claimed |
| EP-0975584-A1 | SYNTHESIS AND USE OF $g(a)-KETOAMIDE DERIVATIVES AND ARRAYS | ARQULE, INC. (US) | 2000-02-02 | — | — | EP | claimed |
| WO-1998046559-A1 | SYNTHESIS AND USE OF α-KETOAMIDE DERIVATIVES AND ARRAYS | ARQULE, INC. (US) | 1998-10-22 | — | — | WO | claimed |
| EP-0975584-B1 | SYNTHESIS AND USE OF ALPHA-KETOAMIDE DERIVATIVES AND ARRAYS | ARQULE INC (US) | 2002-09-25 | — | — | EP | disclosed |
| US-6452050-B1 | MONOACYLATION OF SUCH AS 4-AMINOBENZYLAMINE WITH METHYL-2-(2-BENZOTHIENYL)-2-OXOETHANOATE TO PRODUCE POTENTIAL INHIBITORS OF PROTEOLYTIC ENZYMES, PARTICULARLY CYSTEINE PROTEASES | ARQULE, INC. | 2002-09-17 | — | — | US | disclosed |
| US-6143931-A | USEFUL IN DEVELOPING PHARMACEUTIC AGENTS FOR THE TREATMENT OF DISEASES (E.G., CHAGAS' DISEASE) | ARQULE, INC. (US) | 2000-11-07 | — | — | US | disclosed |
| EP-0975584-A1 | SYNTHESIS AND USE OF $g(a)-KETOAMIDE DERIVATIVES AND ARRAYS | ARQULE, INC. (US) | 2000-02-02 | — | — | EP | disclosed |
| WO-1998046559-A1 | SYNTHESIS AND USE OF α-KETOAMIDE DERIVATIVES AND ARRAYS | ARQULE, INC. (US) | 1998-10-22 | — | — | WO | disclosed |