Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 7/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 2/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | SCN1A | P35498 | 1/20 | 0.38 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.38 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22014321 | 0.90 | OPRK1 (0.39) | OPRK1OPRM1HDAC8HDAC6LMNA | |
| SCHEMBL22014325 | 0.87 | OPRK1 (0.42) | OPRK1OPRM1HDAC8HDAC6LMNA | |
| SCHEMBL24672619 | 0.84 | HDAC8 (0.41) | OPRK1OPRM1HDAC8HDAC6ALDH1A1 | |
| SCHEMBL22014463 | 0.83 | OPRK1 (0.44) | OPRK1OPRM1ALDH1A1MAPK1SMN1; SMN2 | |
| SCHEMBL22014497 | 0.81 | PTPN1 (0.44) | OPRK1OPRM1HDAC8HDAC6CA12 | |
| SCHEMBL22014501 | 0.79 | PTPN1 (0.60) | OPRK1OPRM1LMNACA12CA9 | |
| SCHEMBL24672243 | 0.78 | PYCR1 (0.33) | HDAC8HDAC6ALDH1A1TSHRPOLB | |
| SCHEMBL22014453 | 0.77 | OPRK1 (0.38) | OPRK1OPRM1TSHRATMSMN1; SMN2 | |
| SCHEMBL24672914 | 0.77 | POLB (0.44) | OPRK1OPRM1TSHRMAPK1POLB | |
| SCHEMBL22014469 | 0.76 | CA2 (0.44) | OPRK1OPRM1CA12CA9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |