Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3838124 | 1.00 | CA14 (0.34) | CA14CA12AAK1HDAC1HDAC2 | |
| SCHEMBL2153085 | 0.91 | CA14 (0.35) | CA14CA12AAK1 | |
| SCHEMBL2253766 | 0.85 | CA14 (0.34) | CA14CA12HDAC1HDAC2HDAC6 | |
| SCHEMBL2253762 | 0.85 | CA14 (0.34) | CA14CA12HDAC1HDAC2HDAC6 | |
| SCHEMBL5133273 | 0.85 | CA14 (0.34) | CA14CA12HDAC1HDAC2HDAC6 | |
| SCHEMBL5739385 | 0.85 | MEN1 (0.33) | CA14AAK1HDAC1HDAC2HDAC6 | |
| SCHEMBL13215105 | 0.84 | HDAC6 (0.36) | CA14CA12AAK1HDAC1HDAC2 | |
| SCHEMBL22137615 | 0.84 | CA14 (0.39) | CA14CA12HDAC1HDAC2HDAC6 | |
| SCHEMBL19663961 | 0.83 | CA14 (0.40) | CA14CA12AAK1HDAC1HDAC2 | |
| SCHEMBL29023150 | 0.82 | CA14 (0.35) | CA14CA12HDAC1HDAC2HDAC6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101014598-B | Aminocyclohexanes as dipeptidyl peptidase-iv inhibitors for the treatment or prevention of diabetes | MERCK SHARP & DOHME | 2012-06-13 | — | — | CN | disclosed |
| CN-100383129-C | Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes | MERCK & CO INC (US) | 2008-04-23 | — | — | CN | disclosed |
| CN-101014598-A | Aminocyclohexanes as dipeptidyl peptidase-iv inhibitors for the treatment or prevention of diabetes | MERCK & CO INC (US) | 2007-08-08 | — | — | CN | disclosed |
| CN-1705647-A | Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes | MERCK & CO INC (US) | 2005-12-07 | — | — | CN | disclosed |