Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 2/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL3423603 | 0.85 | CA14 (0.34) | CA14HDAC6CA12CA1CA7 | |
| SCHEMBL12160052 | 0.83 | HDAC6 (0.40) | CA14HDAC6CA12CA1CA7 | |
| SCHEMBL3422429 | 0.80 | DGAT1 (0.39) | CA14HDAC6CA12CA1CA7 | |
| SCHEMBL23425907 | 0.78 | HDAC6 (0.41) | CA14HDAC6CA12CA1CA7 | |
| SCHEMBL5033844 | 0.78 | HDAC6 (0.37) | CA14HDAC6CA12CA1CA7 | |
| SCHEMBL25120833 | 0.76 | NQO1 (0.33) | — | |
| SCHEMBL15669149 | 0.76 | CA14 (0.36) | CA14HDAC6CA12CA1CA7 | |
| SCHEMBL4659197 | 0.76 | HDAC6 (0.36) | CA14HDAC6CA12CA1CA7 | |
| SCHEMBL2966082 | 0.75 | DGAT1 (0.37) | CA14HDAC6CA12CA1CA7 | |
| Hydrochloric Acid SCHEMBL27875284 | 0.74 | CA14 (0.35) | CA14HDAC6CA12CA1CA7 |
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-2222647-A1 | FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS | Cephalon, Inc. (US) | 2010-09-01 | — | — | EP | disclosed |
| WO-2008051547-A1 | FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS | CEPHALON, INC. (US) | 2008-05-02 | — | — | WO | disclosed |