Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | DAGLA | Q9Y4D2 | 5/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | FBP1 | P09467 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | MC4R | P32245 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | MC3R | P41968 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | KDM5A | P29375 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL709372 | 0.87 | ALDH1A1 (0.52) | CES1ALDH1A1TSHRKDM4EDAGLA | |
| SCHEMBL18335237 | 0.85 | CES1 (0.49) | CES1ALDH1A1TSHRKDM4EALOX15 | |
| SCHEMBL31316480 | 0.80 | DAGLA (0.44) | CES1ALDH1A1KDM4EDAGLALMNA | |
| SCHEMBL1807276 | 0.79 | CES1 (0.45) | CES1ALDH1A1TSHRKDM4EALOX15 | |
| SCHEMBL1816453 | 0.76 | — | — | |
| SCHEMBL164107 | 0.74 | — | — | |
| SCHEMBL164108 | 0.74 | — | — | |
| SCHEMBL22831426 | 0.73 | CES1 (0.51) | CES1ALDH1A1TSHRKDM4EALOX15 | |
| SCHEMBL3743295 | 0.72 | — | — | |
| SCHEMBL3123457 | 0.72 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1081624-C | Benzamide analogs, useful as PARP (ADP-ribosyltransferase, ADRPT) DNA repair enzyme inhibitors | NEWCASTLE UNIV VENTURE INVEST (GB) | 2002-03-27 | — | — | CN | claimed |
| CN-103702993-B | Benzamide derivatives | MERCK PATENT GMBH (DE) | 2015-11-25 | — | — | CN | disclosed |
| CN-102414207-B | Fluorinated aminotriazole derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2015-09-30 | — | — | CN | disclosed |
| CN-104926810-A | Pyrrolopyridines As Kinase Inhibitors | ARRAY BIOPHARMA INC | 2015-09-23 | — | — | CN | disclosed |
| CN-102089307-B | Pyrrolopyridines as kinase inhibitors | ARRAY BIOPHARMA INC | 2015-07-01 | — | — | CN | disclosed |
| CN-104610230-A | Compounds for the treatment of cancer | UNIV TENNESSEE RES FOUNDATION | 2015-05-13 | — | — | CN | disclosed |
| CN-102137592-B | Compounds for the treatment of cancer | UNIV TENNESSEE RES FOUNDATION (US) | 2015-01-28 | — | — | CN | disclosed |
| CN-103702993-A | Benzamide derivatives | MERCK PATENT GMBH | 2014-04-02 | — | — | CN | disclosed |
| CN-101528225-B | 2-aminobenzoxazole carboxamides as 5HT3 modulators | ALBANY MOLECULAR RES INC | 2013-07-17 | — | — | CN | disclosed |
| CN-102414207-A | Fluorinated aminotriazole derivatives | ACTELION PHARMACEUTICALS LTD | 2012-04-11 | — | — | CN | disclosed |
| CN-102137592-A | Compounds for the treatment of cancer | UNIV TENNESSEE RES FOUNDATION (US) | 2011-07-27 | — | — | CN | disclosed |
| CN-102089307-A | Pyrrolopyridines as kinase inhibitors | ARRAY BIOPHARMA INC | 2011-06-08 | — | — | CN | disclosed |
| CN-101600691-A | Acyclic derivatives as modulators of chemokine receptor activity | BRISTOL MYERS SQUIBB CO (US) | 2009-12-09 | — | — | CN | disclosed |
| CN-101528225-A | 2-aminobenzoxazole carboxamides as 5HT3 modulators | AMR TECHNOLOGY INC (US) | 2009-09-09 | — | — | CN | disclosed |
| CN-101155783-A | Pyrazoles | HOFFMANN LA ROCHE (CH) | 2008-04-02 | — | — | CN | disclosed |
| CN-1081624-C | Benzamide analogs, useful as PARP (ADP-ribosyltransferase, ADRPT) DNA repair enzyme inhibitors | NEWCASTLE UNIV VENTURE INVEST (GB) | 2002-03-27 | — | — | CN | disclosed |
| CN-1228695-A | Substituted 1,2,3,4-tetrahydro-2-dibenzofuranamines and 2-aminocyclohepta [b] benzofurans | LILLY CO ELI (US) | 1999-09-15 | — | — | CN | disclosed |
| CN-1143358-A | Benzamide analogs, useful as parp (ADP-ribosyltransferase, ADRPT) DNA repair enzyme inhibitors | UNIV NEWCASTLE VENTURES LTD (GB) | 1997-02-19 | — | — | CN | disclosed |