Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.53 |
| ▸ | NAAA | Q02083 | 3/20 | 0.53 |
| ▸ | TLR4 | O00206 | 1/20 | 0.53 |
| ▸ | CTSK | P43235 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.48 |
| ▸ | CPB1 | P15086 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL18029925 | 1.00 | ALDH1A1 (0.56) | ALDH1A1GAATSHREPHX1NAAA | |
| SCHEMBL760401 | 0.96 | EPHX1 (0.59) | ALDH1A1GAATSHREPHX1NAAA | |
| SCHEMBL14534711 | 0.96 | EPHX1 (0.59) | ALDH1A1GAATSHREPHX1NAAA | |
| SCHEMBL425375 | 0.92 | ALDH1A1 (0.58) | ALDH1A1GAATSHREPHX1NAAA | |
| SCHEMBL1987472 | 0.84 | ALDH1A1 (0.53) | ALDH1A1GAATSHREPHX1NAAA | |
| SCHEMBL20178484 | 0.84 | ALDH1A1 (0.53) | ALDH1A1GAATSHREPHX1NAAA | |
| SCHEMBL12640899 | 0.84 | ALDH1A1 (0.53) | ALDH1A1GAATSHREPHX1NAAA | |
| SCHEMBL12564549 | 0.84 | ALDH1A1 (0.53) | ALDH1A1GAATSHREPHX1NAAA | |
| SCHEMBL1987474 | 0.84 | ALDH1A1 (0.53) | ALDH1A1GAATSHREPHX1NAAA | |
| SCHEMBL1718075 | 0.83 | TLR4 (0.56) | ALDH1A1GAATSHREPHX1NAAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1954668-A2 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | Brystol-Myers Squibb Company (US) | 2008-08-13 | — | — | EP | disclosed |
| EP-1951673-A2 | HETEROCYCLIC CETP INHIBITORS | Bristol-Myers Squibb Company (US) | 2008-08-06 | — | — | EP | disclosed |
| WO-2007062314-A2 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-31 | — | — | WO | disclosed |
| WO-2007062308-A2 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-31 | — | — | WO | disclosed |