Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | THPO | P40225 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15676069 | 1.00 | GRM5 (0.46) | GRM5KDM4ECYP3A4THRBTSHR | |
| SCHEMBL10242861 | 1.00 | GRM5 (0.46) | GRM5KDM4ECYP3A4THRBTSHR | |
| SCHEMBL5022138 | 0.83 | GRM5 (0.55) | GRM5 | |
| SCHEMBL5022139 | 0.83 | GRM5 (0.55) | GRM5 | |
| SCHEMBL15676171 | 0.81 | CYP2A6 (0.43) | GRM5KDM4ECYP3A4THRBTSHR | |
| SCHEMBL1529207 | 0.81 | GRM5 (0.44) | GRM5KDM4EALDH1A1RAB9AHPGD | |
| SCHEMBL10244251 | 0.81 | GRM5 (0.40) | GRM5 | |
| SCHEMBL6374631 | 0.80 | GRM5 (0.49) | GRM5 | |
| SCHEMBL5835621 | 0.80 | GRM5 (0.49) | GRM5 | |
| SCHEMBL8192290 | 0.80 | 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 |