Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL6575122 | 0.86 | IDO1 (0.40) | CYP1A2CYP2D6CYP3A4IDO1GAA | |
| SCHEMBL6575523 | 0.84 | ALDH1A1 (0.53) | CYP3A4GAASMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL6574304 | 0.83 | IDO1 (0.36) | IDO1GAASMN1; SMN2ALDH1A1POLB | |
| SCHEMBL6575545 | 0.83 | CYP1A2 (0.39) | CYP1A2CYP2D6CYP3A4IDO1GAA | |
| SCHEMBL6575055 | 0.79 | OPRK1 (0.37) | CYP1A2CYP2D6CYP3A4GAASMN1; SMN2 | |
| SCHEMBL6575981 | 0.77 | MEN1 (0.54) | IDO1GAASMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL6575126 | 0.77 | PPIB (0.40) | IDO1GAASMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL31493840 | 0.74 | NPC1 (0.61) | CYP1A2CYP2D6GAASMN1; SMN2ALDH1A1 | |
| SCHEMBL7798992 | 0.74 | TAAR1 (0.44) | CYP1A2CYP2D6CYP3A4IDO1SMN1; SMN2 | |
| SCHEMBL27360388 | 0.73 | HTT (0.47) | IDO1GAASMN1; SMN2ALDH1A1MEN1 |
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 4 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 |
| 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 |