Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6575122 | 0.85 | IDO1 (0.40) | OPRK1CYP1A2CYP2D6OPRM1CYP3A4 | |
| SCHEMBL6575545 | 0.84 | CYP1A2 (0.39) | OPRK1CYP1A2CYP2D6CYP3A4SMN1; SMN2 | |
| SCHEMBL6575057 | 0.84 | MEN1 (0.35) | KEAP1NFE2L2SMN1; SMN2ALDH1A1GAA | |
| SCHEMBL6574310 | 0.79 | CYP1A2 (0.41) | CYP1A2CYP2D6CYP3A4SMN1; SMN2ALDH1A1 | |
| SCHEMBL6575523 | 0.77 | ALDH1A1 (0.53) | CYP3A4SMN1; SMN2ALDH1A1HTTGAA | |
| SCHEMBL6575543 | 0.76 | MIF (0.35) | CYP1A2CYP2D6CYP3A4KEAP1NFE2L2 | |
| SCHEMBL6575981 | 0.71 | MEN1 (0.54) | SMN1; SMN2ALDH1A1HTTGAAMAPT | |
| SCHEMBL6574304 | 0.71 | IDO1 (0.36) | SMN1; SMN2ALDH1A1GAA | |
| SCHEMBL6575126 | 0.69 | PPIB (0.40) | SMN1; SMN2ALDH1A1GAAHDAC3HDAC1 | |
| SCHEMBL27360388 | 0.67 | HTT (0.47) | SMN1; SMN2ALDH1A1HTTGAAHSD17B10 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0785928-B1 | NOVEL N3 S2 CHELATING LIGANDS OPTIONALLY RADIOLABELLED WITH Tc OR Re, USEFUL FOR DIAGNOSTIC OR THERAPEUTIC APPLICATIONS | MERCK FROSST CANADA INC (CA) | 2004-04-28 | — | — | EP | disclosed |
| EP-0785951-B1 | TC OR RE RADIOLABELLED SOMATOSTATIN ANALOGS | MERCK FROSST CANADA INC (CA) | 2002-04-24 | — | — | EP | disclosed |
| EP-0785951-A1 | TC OR RE RADIOLABELLED SOMATOSTATIN ANALOGS | MERCK FROSST CANADA INC. (CA) | 1997-07-30 | — | — | EP | disclosed |
| US-5632969-A | N3 S2 chelating ligands optionally radiolabelled with Tc or Re, useful for diagnostic or therapeutic applications | MERCK & CO., INC. (US) | 1997-05-27 | — | — | US | disclosed |
| US-5556939-A | TC or RE radionuclide labelled chelate, hexapeptide complexes useful for diagnostic or therapeutic applications | MERCK FROSST CANADA, INC. (CA) | 1996-09-17 | — | — | US | disclosed |
| WO-1996011954-A1 | TC OR RE RADIOLABELLED SOMATOSTATIN ANALOGS | MERCK FROSST CANADA INC. (CA) | 1996-04-25 | — | — | WO | disclosed |