Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 10/20 | 1.00 |
| ▸ | CA12 | O43570 | 9/20 | 1.00 |
| ▸ | CA9 | Q16790 | 9/20 | 1.00 |
| ▸ | CA1 | P00915 | 8/20 | 1.00 |
| ▸ | PTGS1 | P23219 | 9/20 | 0.62 |
| ▸ | PTGS2 | P35354 | 9/20 | 0.62 |
| ▸ | DRD1 | P21728 | 1/20 | 0.53 |
| ▸ | CA5A | P35218 | 3/20 | 0.52 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.52 |
| ▸ | CA3 | P07451 | 2/20 | 0.52 |
| ▸ | CA6 | P23280 | 2/20 | 0.52 |
| ▸ | CA7 | P43166 | 2/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.50 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL4073858 | 0.85 | CA2 (0.74) | CA2CA12CA9CA1PTGS1 | |
| SCHEMBL6725526 | 0.85 | CA12 (0.73) | CA2CA12CA9CA1PTGS1 | |
| SCHEMBL6794833 | 0.84 | CA12 (0.73) | CA2CA12CA9CA1PTGS1 | |
| SCHEMBL28301092 | 0.82 | PTGS2 (0.71) | CA2CA12CA9CA1PTGS1 | |
| SCHEMBL6724171 | 0.82 | CA2 (0.70) | CA2CA12CA9CA1PTGS1 | |
| SCHEMBL6721527 | 0.82 | PTGS2 (0.72) | CA2CA12CA9CA1PTGS1 | |
| SCHEMBL4575215 | 0.82 | CA2 (0.79) | CA2CA12CA9CA1PTGS1 | |
| SCHEMBL2333782 | 0.81 | CA12 (0.68) | CA2CA12CA9CA1PTGS1 | |
| SCHEMBL2947749 | 0.81 | CA12 (0.68) | CA2CA12CA9CA1PTGS1 | |
| SCHEMBL962658 | 0.80 | CA1 (0.67) | CA2CA12CA9CA1CA4 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1332661-C | Methods of treating and preventing neoplasia using cyclooxygenase-2 inhibitors | SEARLE & CO (US) | 2007-08-22 | — | — | CN | claimed |
| EP-2016065-A2 | 1-(BENZO[D][1,3]DIOXOL-5-YL)-N-(PHENYL)CYCLOPROPANE-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS FOR THE TREATMENT OF CYSTIC FIBROSIS | Vertex Pharmaceuticals Incorporated (US) | 2009-01-21 | — | — | EP | disclosed |
| WO-2009006315-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS FOR TREATING CYSTIC FIBROSIS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-01-08 | — | — | WO | disclosed |
| CN-100360117-C | Pharmaceutical composition with improved dissolution | TRANSFORM PHARMACEUTICALS INC (US) | 2008-01-09 | — | — | CN | disclosed |
| CN-100335136-C | Pharmaceutical composition with reduced tendency for crystallization of drug | PHARMACIA CORP (US) | 2007-09-05 | — | — | CN | disclosed |
| CN-1332661-C | Methods of treating and preventing neoplasia using cyclooxygenase-2 inhibitors | SEARLE & CO (US) | 2007-08-22 | — | — | CN | disclosed |
| WO-2007087066-A2 | 1-(BENZO [D] [1,3] DI0X0L-5-YL) -N- (PHENYL) CYCLOPROPANE- CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS FOR THE TREATMENT OF CYSTIC FIBROSIS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-08-02 | — | — | WO | disclosed |
| CN-1305470-C | Process for preparing a finely self-emulsifiable pharmaceutical composition | PHARMACIA CORP (US) | 2007-03-21 | — | — | CN | disclosed |
| CN-1292746-C | Amino-sulfonyl-containing active compound (COX-2 inhibitors), polyethylene glycol and removing free radical antioxidate and liquid | PHARMACIA CORP (US) | 2007-01-03 | — | — | CN | disclosed |
| CN-1214790-C | Medicinal composition for treating inflammation | SEARLE & CO (US) | 2005-08-17 | — | — | CN | disclosed |
| CN-1442139-A | Medicinal composition for treating inflammation | SEARLE & CO (US) | 2003-09-17 | — | — | CN | disclosed |
| CN-1107058-C | Substituted isoxazoles for the treatment of disorders | SEARLE & CO (US) | 2003-04-30 | — | — | CN | disclosed |
| CN-1181075-A | Substituted isoxazoles for the treatment of disorders | SEARLE & CO (US) | 1998-05-06 | — | — | CN | disclosed |