Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 8/20 | 0.44 |
| ▸ | CA2 | P00918 | 7/20 | 0.44 |
| ▸ | CA12 | O43570 | 7/20 | 0.44 |
| ▸ | CA9 | Q16790 | 7/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 6/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22014501 | 0.90 | PTPN1 (0.60) | PTPN1CA1CA2CA12CA9 | |
| SCHEMBL24672619 | 0.85 | HDAC8 (0.41) | OPRK1OPRM1HDAC8HDAC6 | |
| SCHEMBL22014502 | 0.81 | OPRK1 (0.42) | CA12CA9OPRK1OPRM1HDAC8 | |
| SCHEMBL22014458 | 0.79 | OPRK1 (0.40) | OPRK1OPRM1 | |
| SCHEMBL22014453 | 0.78 | OPRK1 (0.38) | CA1CA2CA12OPRK1OPRM1 | |
| SCHEMBL22014325 | 0.78 | OPRK1 (0.42) | CA12CA9OPRK1OPRM1HDAC8 | |
| SCHEMBL22014321 | 0.77 | OPRK1 (0.39) | OPRK1OPRM1HDAC8HDAC6 | |
| SCHEMBL22014469 | 0.77 | CA2 (0.44) | CA1CA2CA12CA9OPRK1 | |
| SCHEMBL22014456 | 0.76 | OPRK1 (0.46) | OPRK1OPRM1 | |
| SCHEMBL24672914 | 0.75 | POLB (0.44) | OPRK1OPRM1 |
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 |