Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 6/20 | 0.42 |
| ▸ | TRIM24 | O15164 | 2/20 | 0.37 |
| ▸ | TRIM33 | Q9UPN9 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 2/20 | 0.33 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.33 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.33 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29952089 | 0.86 | ERN1 (0.42) | ERN1TRIM24TRIM33CYP2A6TDP1 | |
| SCHEMBL671586 | 0.85 | CYP2A6 (0.41) | TRIM24TRIM33CYP2A6TDP1ALDH1A1 | |
| SCHEMBL29956106 | 0.85 | CYP2A6 (0.41) | TRIM24TRIM33CYP2A6TDP1ALDH1A1 | |
| SCHEMBL29951754 | 0.79 | ERN1 (0.42) | ERN1TRIM24TRIM33CYP2A6 | |
| SCHEMBL3034999 | 0.79 | CYP2A6 (0.37) | ERN1TRIM24TRIM33CYP2A6TDP1 | |
| SCHEMBL29955268 | 0.79 | CYP2A6 (0.51) | ERN1TRIM24TRIM33CYP2A6PIM1 | |
| SCHEMBL29957429 | 0.79 | CYP2A6 (0.37) | ERN1TRIM24TRIM33CYP2A6TDP1 | |
| SCHEMBL671969 | 0.76 | TRIM24 (0.47) | TRIM24TRIM33CYP2A6TDP1ALDH1A1 | |
| SCHEMBL29951137 | 0.76 | KMT2A (0.42) | ERN1TRIM24TRIM33TDP1ALDH1A1 | |
| SCHEMBL29958043 | 0.72 | HTR1A (0.47) | ERN1TRIM24TRIM33CYP2A6PIM1 |
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 |