Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 3/20 | 0.35 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 2/20 | 0.31 |
| ▸ | AURKA | O14965 | 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 | |
|---|---|---|---|---|
| SCHEMBL12696969 | 1.00 | GRM5 (0.35) | GRM5PARP1IDH1KDRAURKA | |
| SCHEMBL10244710 | 0.80 | ALDH1A1 (0.42) | GRM5PARP1IDH1AURKA | |
| SCHEMBL5022051 | 0.77 | GRM5 (0.50) | GRM5 | |
| SCHEMBL5022056 | 0.77 | GRM5 (0.50) | GRM5 | |
| SCHEMBL5022052 | 0.77 | GRM5 (0.50) | GRM5 | |
| SCHEMBL10244194 | 0.75 | GRM5 (0.40) | GRM5IDH1AURKA | |
| SCHEMBL15743987 | 0.74 | P2RX7 (0.31) | — | |
| SCHEMBL15744006 | 0.74 | P2RX7 (0.31) | — | |
| SCHEMBL15676069 | 0.73 | GRM5 (0.46) | GRM5 | |
| SCHEMBL10242864 | 0.73 | GRM5 (0.46) | GRM5 |
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-1765793-B1 | ANACETRAPIB AND OTHER CETP INHIBITPRS | MERCK SHARP & DOHME (US) | 2012-09-26 | — | — | EP | disclosed |
| EP-2415759-A1 | CETP inhibitors | Merck Sharp & Dohme Corporation (US) | 2012-02-08 | — | — | EP | disclosed |