Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4302129 | 0.82 | CA1 (0.55) | CA1CA2CA7CA9CA12 | |
| SCHEMBL4540956 | 0.81 | CA1 (0.60) | CA1CA2CA7CA9CA12 | |
| Hydrochloric Acid SCHEMBL28200109 | 0.77 | CA1 (0.48) | CA1CA2CA7CA9CA12 | |
| SCHEMBL2539698 | 0.75 | CA1 (0.57) | CA1CA2CA7CA9CA12 | |
| SCHEMBL17485907 | 0.75 | CA1 (0.57) | CA1CA2CA7CA9CA12 | |
| SCHEMBL29449742 | 0.74 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL4669496 | 0.74 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL20386672 | 0.74 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL14317695 | 0.73 | CA1 (0.55) | CA1CA2CA7CA9CA12 | |
| Hydrochloric Acid SCHEMBL2862732 | 0.73 | CA1 (0.55) | CA1CA2CA7CA9CA12 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1957109-A2 | MODULATORS OF CDC2-LIKE KINASES (CLKS) AND METHODS OF USE THEREOF | Sirtris Pharmaceuticals, Inc. (US) | 2008-08-20 | — | — | EP | disclosed |
| EP-1898897-A2 | METHODS AND RELATED COMPOSITIONS FOR TREATING OR PREVENTING OBESITY, INSULIN RESISTANCE DISORDERS, AND MITOCHONDRIAL-ASSOCIATED DISORDERS | Sirtris Pharmaceuticals, Inc. (US) | 2008-03-19 | — | — | EP | disclosed |
| WO-2007102861-A2 | MODULATORS OF CDC2-LIKE KINASES (CLKS) AND METHODS OF USE THEREOF | SIRTRIS PHARMACEUTICALS, INC. (US) | 2007-09-13 | — | — | WO | disclosed |
| WO-2007008548-A2 | METHODS AND RELATED COMPOSITIONS FOR TREATING OR PREVENTING OBESITY, INSULIN RESISTANCE DISORDERS, AND MITOCHONDRIAL-ASSOCIATED DISORDERS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2007-01-18 | — | — | WO | disclosed |
| EP-1247093-A2 | SCREENING ASSAYS USING INTRAMITOCHONDRIAL CALCIUM | MITOKOR (US) | 2002-10-09 | — | — | EP | disclosed |
| WO-2001051923-A2 | SCREENING ASSAYS USING INTRAMITOCHONDRIAL CALCIUM | MITOKOR (US) | 2001-07-19 | — | — | WO | disclosed |