Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 2/20 | 0.34 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.34 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | AKT2 | P31751 | 1/20 | 0.32 |
| ▸ | SCD | O00767 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
| ▸ | PDE5A | O76074 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29951962 | 0.76 | CA12 (0.35) | HRH4CA12CA1CA2CA9 | |
| SCHEMBL29310281 | 0.75 | HRH4 (0.47) | HRH4PIM1PIM3PIM2CYP3A4 | |
| SCHEMBL958026 | 0.75 | ALOX5 (0.42) | HRH4PIM1PIM3PIM2CYP3A4 | |
| SCHEMBL17689112 | 0.75 | RECQL (0.50) | HRH4CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL17207203 | 0.74 | HRH4 (0.41) | HRH4PIM1PIM3PIM2CYP3A4 | |
| SCHEMBL31333637 | 0.72 | PDE5A (0.40) | HRH4CA12CA1CA2CA9 | |
| SCHEMBL19359258 | 0.71 | NPC1 (0.32) | — | |
| SCHEMBL21789261 | 0.71 | HRH4 (0.41) | HRH4PIM1PIM3PIM2CYP3A4 | |
| SCHEMBL2559276 | 0.70 | KDR (0.42) | PIM1PIM3PIM2CYP3A4CYP2C9 | |
| SCHEMBL30052176 | 0.68 | EP300 (0.50) | HRH4PIM1CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |