Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.48 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.39 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL4717208 | 1.00 | BRD4 (0.48) | BRD4PAX8GABRA1GABRG2GABRB3 | |
| SCHEMBL483964 | 0.82 | PAX8 (0.46) | BRD4PAX8GABRA1GABRG2GABRB3 | |
| SCHEMBL6159515 | 0.80 | LMNA (0.44) | MEN1RAB9AKMT2AFFAR1CA12 | |
| SCHEMBL10210873 | 0.79 | BRD4 (0.52) | BRD4PAX8LMNAHSD17B2 | |
| SCHEMBL30504285 | 0.79 | BRD4 (0.62) | BRD4PAX8CREBBPMEN1RAB9A | |
| SCHEMBL4719840 | 0.79 | FFAR1 (0.43) | MEN1RAB9AKMT2ANPSR1PTPN1 | |
| SCHEMBL3910121 | 0.78 | BRD4 (0.51) | BRD4PAX8CREBBPMEN1RAB9A | |
| SCHEMBL67115 | 0.78 | BRD4 (0.51) | BRD4PAX8CREBBPMEN1RAB9A | |
| SCHEMBL14065550 | 0.78 | BRD4 (0.51) | BRD4PAX8CREBBPMEN1RAB9A | |
| SCHEMBL29004748 | 0.78 | HTR3E (0.51) | BRD4PAX8KMT2ANPSR1CRHR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4395896-A1 | METALLODRUG THERAPEUTIC COMPOUNDS AND PRODRUGS OF METALLODRUG THERAPEUTIC COMPOUNDS | Dublin City University (IE) | 2024-07-10 | — | — | EP | disclosed |
| WO-2023031375-A1 | METALLODRUG THERAPEUTIC COMPOUNDS AND PRODRUGS OF METALLODRUG THERAPEUTIC COMPOUNDS | DUBLIN CITY UNIVERSITY (IE) | 2023-03-09 | — | — | WO | disclosed |