Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 11/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29926322 | 0.98 | SIGMAR1 (0.42) | SIGMAR1OPRD1OPRM1SLC6A4SLC6A2 | |
| SCHEMBL1494478 | 0.96 | SIGMAR1 (0.43) | SIGMAR1OPRD1OPRM1SLC6A4SLC6A2 | |
| SCHEMBL7590414 | 0.96 | SIGMAR1 (0.43) | SIGMAR1OPRD1OPRM1SLC6A4SLC6A2 | |
| Hydrochloric Acid SCHEMBL28404227 | 0.94 | SIGMAR1 (0.42) | SIGMAR1OPRD1OPRM1SLC6A4SLC6A2 | |
| SCHEMBL1607970 | 0.90 | OPRD1 (0.41) | SIGMAR1OPRD1OPRM1SLC6A4SLC6A2 | |
| SCHEMBL3102765 | 0.86 | — | — | |
| SCHEMBL2910332 | 0.86 | OPRD1 (0.38) | SIGMAR1OPRD1OPRM1SLC6A4SLC6A2 | |
| SCHEMBL29926143 | 0.84 | SIGMAR1 (0.47) | SIGMAR1SLC6A4SLC6A2CHRM3SLC6A3 | |
| SCHEMBL9165437 | 0.83 | SIGMAR1 (0.36) | SIGMAR1OPRD1OPRM1SLC6A4CHRM5 | |
| SCHEMBL27667325 | 0.82 | SIGMAR1 (0.44) | SIGMAR1OPRD1OPRM1SLC6A4SLC6A2 |
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-1047677-B1 | Process for the preparation of derivatives of 1,4,7,10-tetraazacyclododecane-1,4-diacetic acid | BRACCO SPA (IT) | 2005-07-20 | — | — | EP | claimed |
| EP-1602649-A2 | 1,4,7,10-TETRAAZACYCLODODECANE-1,4-DIACETIC ACID DERIVATIVES AS CHELATING AGENTS | BRACCO S.p.A. (IT) | 2005-12-07 | — | — | EP | disclosed |
| EP-1047677-B1 | Process for the preparation of derivatives of 1,4,7,10-tetraazacyclododecane-1,4-diacetic acid | BRACCO SPA (IT) | 2005-07-20 | — | — | EP | disclosed |
| US-6342597-B1 | CONDENSATION REACTION TRIETHYLENETETRAMINE WITH GLYOXAL TO CYCLIZE; OXIDATION, ALKYLATION, HYDROLYSIS, QUATERNIZATION; NUCLEAR MAGNETIC RESONANCE IMAGING | DIBRA S.P.A. (IT) | 2002-01-29 | — | — | US | disclosed |