Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2199447 | 0.78 | NOS1 (0.49) | SLC6A3MAPTGAAALDH1A1HPGD | |
| SCHEMBL10041515 | 0.78 | NOS1 (0.49) | SLC6A3MAPTGAAALDH1A1HPGD | |
| SCHEMBL27047585 | 0.77 | TP53 (0.50) | SLC6A3SLC6A2SLC6A4MAPTGAA | |
| SCHEMBL24282883 | 0.77 | MDM2 (0.61) | SLC6A3SLC6A2MAPTGAAALDH1A1 | |
| SCHEMBL10242828 | 0.76 | HTR2C (0.48) | MAPTALDH1A1TSHRHTT | |
| SCHEMBL1072730 | 0.76 | SLC6A3 (0.54) | SLC6A3SLC6A2SLC6A4MAPTGAA | |
| SCHEMBL6967846 | 0.75 | HTR2A (0.36) | — | |
| SCHEMBL29410502 | 0.74 | HSD17B10 (0.44) | SLC6A4MAPTGAAALDH1A1HPGD | |
| SCHEMBL11213955 | 0.73 | SLC6A2 (0.47) | SLC6A3SLC6A2SLC6A4MEN1KMT2A | |
| SCHEMBL29410505 | 0.73 | HSD17B10 (0.43) | MAPTGAAALDH1A1HPGDMEN1 |
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 |