Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 12/20 | 0.65 |
| ▸ | CES1 | P23141 | 11/20 | 0.65 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | PARP1 | P09874 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | XBP1 | P17861 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Benzil SCHEMBL11415302 | 0.87 | CES2 (0.74) | CES2CES1MAPTTSHRL3MBTL1 | |
| SCHEMBL6205112 | 0.82 | CES2 (0.56) | CES2CES1MAPTTSHRL3MBTL1 | |
| Benzil SCHEMBL4125953 | 0.81 | CES2 (0.82) | CES2CES1MAPTTSHRL3MBTL1 | |
| Benzil SCHEMBL10610529 | 0.81 | CES2 (0.82) | CES2CES1MAPTTSHRL3MBTL1 | |
| Benzil SCHEMBL27757984 | 0.81 | CES2 (0.82) | CES2CES1MAPTTSHRL3MBTL1 | |
| Benzil SCHEMBL2252919 | 0.81 | CES2 (0.82) | CES2CES1MAPTTSHRALDH1A1 | |
| Benzil SCHEMBL4814635 | 0.81 | CES2 (0.82) | CES2CES1MAPTTSHRALDH1A1 | |
| SCHEMBL5899450 | 0.81 | CES2 (0.60) | CES2CES1MAPTTSHRL3MBTL1 | |
| SCHEMBL27556660 | 0.79 | CES2 (0.58) | CES2CES1MAPTTSHRL3MBTL1 | |
| SCHEMBL147282 | 0.79 | CES2 (0.68) | CES2CES1MAPTTSHRL3MBTL1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011056725-A1 | PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF | CRYSTALGENOMICS, INC. (KR) | 2011-05-12 | — | — | WO | disclosed |
| WO-2006002022-A2 | COMPOSITIONS AND METHODS USEFUL FOR THE TREATMENT OF HYPERGLYCEMIA | IMMUSOL INCORPORATED (US) | 2006-01-05 | — | — | WO | disclosed |
| WO-2003076403-A1 | 1,2-DISUBSTITUDED-6-OXO-3-PHENYL-PIPERIDINE-3-CARBOXAMIDES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2003-09-18 | — | — | WO | disclosed |
| EP-0977989-A1 | 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 2000-02-09 | — | — | EP | disclosed |
| WO-1998034115-A1 | 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 1998-08-06 | — | — | WO | disclosed |