Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | CA1 | P00915 | 4/20 | 0.55 |
| ▸ | CA2 | P00918 | 4/20 | 0.55 |
| ▸ | CA9 | Q16790 | 3/20 | 0.55 |
| ▸ | CA5A | P35218 | 2/20 | 0.55 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3154297 | 0.82 | ALDH1A1 (0.52) | ALDH1A1CA1CA2CA9CA5A | |
| Hydrochloric Acid SCHEMBL3928206 | 0.80 | ALDH1A1 (0.50) | ALDH1A1CA1CA2CA9CA5A | |
| SCHEMBL9003264 | 0.80 | LOXL2 (0.55) | ALDH1A1CA1CA2CA9CA5A | |
| SCHEMBL1682720 | 0.80 | ALDH1A1 (0.54) | ALDH1A1CA1CA2CA9CA5A | |
| Hydrazine SCHEMBL27401571 | 0.79 | ALDH1A1 (0.74) | ALDH1A1CA1CA2CA9CA5A | |
| SCHEMBL27909482 | 0.79 | ALDH1A1 (0.72) | ALDH1A1CA1CA2CA9CA5A | |
| SCHEMBL22567 | 0.79 | ALDH1A1 (0.72) | ALDH1A1CA1CA2CA9CA5A | |
| SCHEMBL5684191 | 0.79 | HSD11B1 (0.53) | ALDH1A1CA1CA2CA9CA5A | |
| SCHEMBL5180046 | 0.78 | ALDH1A1 (0.52) | ALDH1A1CA1CA2CA9CA5A | |
| SCHEMBL445417 | 0.77 | CA1 (0.56) | ALDH1A1CA1CA2CA9CA5A |
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 7 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-0785928-A1 | NOVEL N3 S2 CHELATING LIGANDS OPTIONALLY RADIOLABELLED WITH Tc OR Re, USEFUL FOR DIAGNOSTIC OR THERAPEUTIC APPLICATIONS | 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 |
| US-5539138-A | High affinity chelates containing isothiocyanate groups, useful for coupling with peptides and proteins | MERCK FROSST CANADA, INC. (CA) | 1996-07-23 | — | — | US | disclosed |
| WO-1996011918-A1 | NOVEL N3S2 CHELATING LIGANDS OPTIONALLY RADIOLABELLED WITH Tc OR Re, USEFUL FOR DIAGNOSTIC OR THERAPEUTIC APPLICATIONS | MERCK FROSST CANADA INC. (CA) | 1996-04-25 | — | — | WO | disclosed |