Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | DDB1 | Q16531 | 2/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | C1R | P00736 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | RXRG | P48443 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11451794 | 0.73 | ALDH1A1 (0.38) | ALDH1A1GAA | |
| SCHEMBL4654446 | 0.73 | RXRA (0.47) | ALDH1A1L3MBTL1DDB1CRBNEPHX2 | |
| SCHEMBL18769575 | 0.73 | BACE1 (0.38) | BACE1HDAC6HSD11B1 | |
| SCHEMBL760881 | 0.73 | BACE1 (0.36) | BACE1ALDH1A1L3MBTL1DDB1CRBN | |
| SCHEMBL760883 | 0.73 | BACE1 (0.36) | BACE1ALDH1A1L3MBTL1DDB1CRBN | |
| Hydrochloric Acid SCHEMBL18742745 | 0.72 | BACE1 (0.38) | BACE1 | |
| SCHEMBL14893791 | 0.71 | BACE1 (0.35) | BACE1ALDH1A1L3MBTL1HDAC6SCN9A | |
| SCHEMBL27907663 | 0.70 | HDAC4 (0.40) | BACE1ALDH1A1L3MBTL1DDB1CRBN | |
| SCHEMBL624931 | 0.69 | GAA (0.35) | BACE1ALDH1A1L3MBTL1DDB1CRBN | |
| SCHEMBL19469649 | 0.69 | AKR1C1 (0.46) | ALDH1A1L3MBTL1GAARXRARXRB |
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-1954668-A2 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | Brystol-Myers Squibb Company (US) | 2008-08-13 | — | — | EP | disclosed |
| WO-2007062308-A2 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-31 | — | — | WO | disclosed |