Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | IDH1 | O75874 | 1/20 | 0.36 |
| ▸ | CTH | P32929 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11734871 | 0.81 | GRM5 (0.50) | ALDH1A1KMT2ANPC1RAB9AMAPT | |
| SCHEMBL12696969 | 0.80 | GRM5 (0.35) | GRM5PARP1AURKAIDH1 | |
| SCHEMBL10242868 | 0.80 | GRM5 (0.35) | GRM5PARP1AURKAIDH1 | |
| SCHEMBL10244194 | 0.78 | GRM5 (0.40) | ALDH1A1KMT2ARAB9AMAPTGRM5 | |
| SCHEMBL10242820 | 0.74 | ALOX5 (0.39) | ALDH1A1GRM5PARP1AURKATSHR | |
| SCHEMBL1529207 | 0.74 | GRM5 (0.44) | ALDH1A1NPC1RAB9AMAPTGRM5 | |
| SCHEMBL6374631 | 0.73 | GRM5 (0.49) | GRM5 | |
| SCHEMBL338191 | 0.73 | GRM5 (0.49) | GRM5 | |
| SCHEMBL4291 | 0.73 | GRM5 (0.49) | GRM5 | |
| SCHEMBL5835621 | 0.73 | GRM5 (0.49) | 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 |