Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.49 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.48 |
| ▸ | REN | P00797 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.45 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL339507 | 0.83 | CES2 (0.56) | CES2CES1AKR1B1ALOX5NPC1 | |
| SCHEMBL4432977 | 0.82 | CTBP2 (0.46) | NPC1RAB9AKMT2ALTB4RLTB4R2 | |
| SCHEMBL27699387 | 0.81 | CES2 (0.54) | CES2CES1AKR1B1ALOX5NPC1 | |
| SCHEMBL2948755 | 0.81 | ALOX5 (0.72) | CES2CES1AKR1B1ALOX5NPC1 | |
| SCHEMBL29291237 | 0.81 | CES1 (0.54) | CES2CES1AKR1B1ALOX5TRPM8 | |
| Hydrochloric Acid SCHEMBL68638 | 0.81 | CES2 (0.54) | CES2CES1AKR1B1ALOX5NPC1 | |
| SCHEMBL4700427 | 0.80 | CES2 (0.48) | CES2CES1AKR1B1ALOX5TRPM8 | |
| SCHEMBL9061013 | 0.80 | CES2 (0.48) | CES2CES1AKR1B1ALOX5NPC1 | |
| SCHEMBL27614321 | 0.80 | KMT2A (0.49) | NPC1KMT2ALTB4RLTB4R2MEN1 | |
| SCHEMBL6625005 | 0.80 | TDP1 (0.59) | AOC3KMT2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104557599-B | Preparation and splitting method of 2-acyl amino-3-biphenylylpropionic acid | 浙江九洲药业股份有限公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-102325757-A | Herbicidal and insecticidal 4-phenyl-substituted pyridazinones | BAYER CROPSCIENCE AG | 2012-01-18 | — | — | CN | disclosed |
| EP-2114867-A1 | AMINOAMIDES AS OREXIN ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008107335-A1 | AMINOAMIDES AS OREXIN ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-09-12 | — | — | WO | disclosed |
| CN-1318402-C | Pyrrolidine-2-carboxylic acid hydrozide derivatives for use as metalloprotease inhibitors | HOFFMANN LA ROCHE (CH) | 2007-05-30 | — | — | CN | disclosed |
| CN-1443163-A | Pyrrolidine-2-carboxylic acid hydrazide derivatives as metalloproteinase inhibitors | HOFFMANN LA ROCHE (CH) | 2003-09-17 | — | — | CN | disclosed |
| US-4150139-A | MUSCLE RELAXANTS, ANALGESICS, ANTIINFLAMMATORY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1979-04-17 | — | — | US | disclosed |