Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.38 |
| ▸ | SHBG | P04278 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5150575 | 0.84 | LMNA (0.43) | CYP3A4SHBGMAPTPOLBGAA | |
| SCHEMBL3194517 | 0.82 | CYP3A4 (0.45) | CYP3A4NPSR1MAPTPOLBGAA | |
| SCHEMBL16527178 | 0.82 | CYP3A4 (0.45) | CYP3A4NPSR1MAPTPOLBGAA | |
| SCHEMBL13589720 | 0.78 | MAPT (0.34) | CYP3A4NPSR1SHBGMAPTPOLB | |
| SCHEMBL30309307 | 0.77 | MCL1 (0.48) | CYP3A4NPSR1SHBGMAPTPOLB | |
| SCHEMBL4092415 | 0.77 | MCL1 (0.48) | CYP3A4NPSR1SHBGMAPTPOLB | |
| SCHEMBL24126774 | 0.75 | KDM4E (0.40) | CYP3A4NPSR1GAALMNAALDH1A1 | |
| SCHEMBL25949691 | 0.74 | CYP3A4 (0.42) | CYP3A4NPSR1MAPTPOLBGAA | |
| SCHEMBL7786171 | 0.74 | AMY1A (0.45) | CYP3A4NPSR1SHBGMAPTPOLB | |
| SCHEMBL13815232 | 0.74 | CYP3A4 (0.39) | CYP3A4MAPTPOLBGAALMNA |
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-1648457-A2 | PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2006-04-26 | — | — | EP | disclosed |
| WO-2005009950-A2 | PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2005-02-03 | — | — | WO | disclosed |