Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 8/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MMP12 | P39900 | 1/20 | 0.38 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22014322 | 0.88 | OPRK1 (0.42) | OPRK1OPRM1ALDH1A1MMP1GAA | |
| SCHEMBL22014463 | 0.86 | OPRK1 (0.44) | OPRK1OPRM1SMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL22014458 | 0.85 | OPRK1 (0.40) | OPRK1OPRM1ALDH1A1MMP1GAA | |
| SCHEMBL22014453 | 0.85 | OPRK1 (0.38) | OPRK1OPRM1SMN1; SMN2SIGMAR1 | |
| SCHEMBL22014469 | 0.84 | CA2 (0.44) | OPRK1OPRM1GAA | |
| SCHEMBL24672619 | 0.81 | HDAC8 (0.41) | OPRK1OPRM1ALDH1A1MEP1B | |
| SCHEMBL22014497 | 0.76 | PTPN1 (0.44) | OPRK1OPRM1 | |
| SCHEMBL24672914 | 0.76 | POLB (0.44) | OPRK1OPRM1SMN1; SMN2MAPK1GAA | |
| SCHEMBL24672243 | 0.75 | PYCR1 (0.33) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL22014329 | 0.74 | OPRK1 (0.40) | OPRK1OPRM1SMN1; SMN2ALDH1A1MAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022204065-A1 | IRON(III) MACROCYCLIC COMPLEXES WITH MIXED HYROXYL PENDANTS AS MRI CONTRAST AGENTS | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2022-09-29 | — | — | WO | disclosed |
| WO-2020102820-A1 | COMPOUNDS FOR USE AS IRON (III) MRI CONTRAST AGENTS CONTAINING ANIONIC PENDENTS AND ANCILLARY GROUPS | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2020-05-22 | — | — | WO | disclosed |