Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | CTSK | P43235 | 3/20 | 0.31 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4020431 | 0.87 | CA14 (0.34) | CA14HDAC1HDAC2HDAC6AAK1 | |
| SCHEMBL25185999 | 0.85 | CA14 (0.38) | CA14CA1CA12CA7NFKB1 | |
| SCHEMBL16085369 | 0.85 | CA14 (0.38) | CA14CA1CA12CA7NFKB1 | |
| SCHEMBL12808019 | 0.85 | CA14 (0.38) | CA14CA1CA12CA7NFKB1 | |
| SCHEMBL3469119 | 0.84 | CA14 (0.46) | CA14CA1CA12CA7NFKB1 | |
| SCHEMBL19663961 | 0.82 | CA14 (0.40) | CA14CA1CA12CA7NFKB1 | |
| SCHEMBL20198186 | 0.80 | CA14 (0.37) | CA14CA1CA12CA7HDAC1 | |
| SCHEMBL24125452 | 0.80 | CA14 (0.37) | CA14CA1CA12CA7HDAC1 | |
| SCHEMBL24329847 | 0.79 | CA14 (0.39) | CA14CA1CA12CA7NFKB1 | |
| SCHEMBL25124098 | 0.79 | CA14 (0.39) | CA14CA1CA12CA7NFKB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2505578-B1 | Methods and Compounds for Producing Dipeptidyl Peptidase IV Inhibitors and Intermediates thereof | ASTRAZENECA AB (SE) | 2014-09-24 | — | — | EP | disclosed |
| EP-2517706-A2 | Methods and compounds for producing dipeptidyl peptidase IV inhibitors and intermediates thereof | Bristol-Myers Squibb Company (US) | 2012-10-31 | — | — | EP | disclosed |