Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPIB | P23284 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6574304 | 0.87 | IDO1 (0.36) | ALDH1A1IDO1POLBSMN1; SMN2GAA | |
| SCHEMBL6575122 | 0.82 | IDO1 (0.40) | PPIBALDH1A1IDO1SMN1; SMN2GAA | |
| SCHEMBL6575543 | 0.81 | MIF (0.35) | MEN1KMT2AALDH1A1NPC1EPHX2 | |
| SCHEMBL6574310 | 0.77 | CYP1A2 (0.41) | MEN1KMT2AALDH1A1IDO1NPC1 | |
| SCHEMBL6575981 | 0.70 | MEN1 (0.54) | MEN1KMT2AALDH1A1IDO1NPC1 | |
| SCHEMBL6575055 | 0.69 | OPRK1 (0.37) | MEN1KMT2AALDH1A1HDAC3HDAC1 | |
| SCHEMBL3900702 | 0.67 | EPHX2 (0.40) | PPIBMEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL27360388 | 0.67 | HTT (0.47) | MEN1KMT2AALDH1A1IDO1NPC1 | |
| SCHEMBL8837514 | 0.66 | MAPT (0.53) | MEN1KMT2AALDH1A1KDM4ENPC1 | |
| SCHEMBL21066542 | 0.66 | MEN1 (0.54) | MEN1KMT2AATMALDH1A1KDM4E |
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 |