Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.74 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.47 |
| ▸ | PIM1 | P11309 | 3/20 | 0.47 |
| ▸ | PIM3 | Q86V86 | 3/20 | 0.47 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.47 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TRIM24 | O15164 | 2/20 | 0.36 |
| ▸ | TRIM33 | Q9UPN9 | 2/20 | 0.36 |
| ▸ | CLK1 | P49759 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 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 | |
|---|---|---|---|---|
| SCHEMBL29953853 | 0.85 | CYP2A6 (1.00) | CYP2A6IMPDH2PIM1PIM3PIM2 | |
| SCHEMBL644301 | 0.85 | CYP2A6 (1.00) | CYP2A6IMPDH2PIM1PIM3PIM2 | |
| SCHEMBL29952428 | 0.82 | CYP2A6 (0.70) | CYP2A6IMPDH2PIM1PIM3PIM2 | |
| SCHEMBL29951403 | 0.78 | CYP2A6 (0.54) | CYP2A6IMPDH2PIM1PIM3PIM2 | |
| SCHEMBL15672105 | 0.78 | CYP2A6 (0.54) | CYP2A6IMPDH2PIM1PIM3PIM2 | |
| SCHEMBL31279438 | 0.78 | CYP2A6 (0.54) | CYP2A6IMPDH2PIM1PIM3PIM2 | |
| SCHEMBL7327866 | 0.78 | CYP2A6 (0.54) | CYP2A6IMPDH2PIM1PIM3PIM2 | |
| SCHEMBL27308948 | 0.78 | CYP2A6 (0.54) | CYP2A6IMPDH2PIM1PIM3PIM2 | |
| SCHEMBL28973447 | 0.76 | CYP2A6 (0.60) | CYP2A6PIM1PIM3PIM2CLK1 | |
| SCHEMBL248842 | 0.72 | CYP2A6 (0.66) | CYP2A6IMPDH2PIM1PIM3PIM2 |
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 |