Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MC4R | P32245 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24672850 | 0.92 | MPO (0.38) | APOBEC3ARECQLAPOBEC3GMEN1KMT2A | |
| SCHEMBL29943098 | 0.92 | MPO (0.38) | APOBEC3ARECQLAPOBEC3GMEN1KMT2A | |
| SCHEMBL24672239 | 0.88 | MPO (0.41) | DRD2DRD4DRD3SLC6A3MEN1 | |
| SCHEMBL24673201 | 0.83 | MPO (0.52) | MC4RDRD2APOBEC3ARECQLAPOBEC3G | |
| SCHEMBL24672258 | 0.79 | KDM4E (0.51) | MC4RAPOBEC3ARECQLAPOBEC3GMEN1 | |
| SCHEMBL24672677 | 0.74 | MPO (0.63) | MEN1KMT2AATM | |
| SCHEMBL24672676 | 0.74 | MPO (0.63) | MEN1KMT2AATM | |
| SCHEMBL24673205 | 0.73 | MPO (0.33) | DRD2DRD4DRD3SLC6A3 | |
| SCHEMBL24673200 | 0.73 | PKM (0.43) | DRD2APOBEC3ARECQLAPOBEC3GDRD3 | |
| SCHEMBL24673196 | 0.73 | HDAC1 (0.47) | APOBEC3ARECQLAPOBEC3GMEN1KMT2A |
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 |