Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ANPEP | P15144 | 1/20 | 0.36 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24672619 | 0.83 | HDAC8 (0.41) | OPRM1OPRK1ADRB3KMT2AADRB1 | |
| SCHEMBL24672243 | 0.83 | PYCR1 (0.33) | POLBNPC1CYP1A2CYP2D6SMN1; SMN2 | |
| SCHEMBL22014453 | 0.82 | OPRK1 (0.38) | OPRM1OPRK1SMN1; SMN2KMT2ATSHR | |
| SCHEMBL22014469 | 0.81 | CA2 (0.44) | OPRM1OPRK1GAA | |
| SCHEMBL25241112 | 0.78 | POLB (0.48) | POLBNPC1SMN1; SMN2HTTTSHR | |
| SCHEMBL25225718 | 0.78 | POLB (0.48) | POLBNPC1SMN1; SMN2HTTTSHR | |
| SCHEMBL22014502 | 0.77 | OPRK1 (0.42) | POLBOPRM1OPRK1CYP3A4SMN1; SMN2 | |
| SCHEMBL22014456 | 0.76 | OPRK1 (0.46) | OPRM1OPRK1SMN1; SMN2GAAMAPK1 | |
| SCHEMBL22014463 | 0.76 | OPRK1 (0.44) | OPRM1OPRK1SMN1; SMN2MAPK1 | |
| SCHEMBL22014325 | 0.76 | OPRK1 (0.42) | POLBOPRM1OPRK1CYP3A4SMN1; SMN2 |
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-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 |