Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.64 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.52 |
| ▸ | PIM1 | P11309 | 2/20 | 0.40 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.40 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.40 |
| ▸ | CLK1 | P49759 | 1/20 | 0.39 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.39 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.39 |
| ▸ | PLG | P00747 | 1/20 | 0.37 |
| ▸ | PLAU | P00749 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.37 |
| ▸ | MELK | Q14680 | 1/20 | 0.37 |
| ▸ | STK24 | Q9Y6E0 | 1/20 | 0.37 |
| ▸ | HTR1D | P28221 | 2/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29952428 | 0.82 | CYP2A6 (0.70) | CYP2A6IMPDH2PIM1PIM3PIM2 | |
| SCHEMBL248842 | 0.79 | CYP2A6 (0.66) | CYP2A6IMPDH2PIM1PIM3PIM2 | |
| SCHEMBL29408411 | 0.79 | CYP2A6 (0.66) | CYP2A6IMPDH2PIM1PIM3PIM2 | |
| SCHEMBL29954276 | 0.78 | CYP2A6 (0.64) | CYP2A6IMPDH2TRIM24TRIM33HTR1D | |
| SCHEMBL644301 | 0.78 | CYP2A6 (1.00) | CYP2A6IMPDH2PIM1PIM3PIM2 | |
| SCHEMBL29953853 | 0.78 | CYP2A6 (1.00) | CYP2A6IMPDH2PIM1PIM3PIM2 | |
| SCHEMBL1092485 | 0.78 | CYP2A6 (0.64) | CYP2A6IMPDH2PIM1PIM3PIM2 | |
| SCHEMBL29951940 | 0.78 | CYP2A6 (0.64) | CYP2A6IMPDH2PIM1PIM3PIM2 | |
| SCHEMBL1337252 | 0.78 | CYP2A6 (0.64) | CYP2A6IMPDH2PIM1PIM3PIM2 | |
| SCHEMBL29935968 | 0.78 | CYP2A6 (0.64) | 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 3 patents. 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 |
| WO-2011088838-A1 | NOVEL 6,6A,7,8,9,10-HEXAHYDRO-4H-4,8,10A-TRIAZA-ACEPHENANTHRYLENE DERIVATIVES AS DOPAMINE D2 LIGANDS | H. LUNDBECK A/S (DK) | 2011-07-28 | — | — | WO | disclosed |
| WO-2011088836-A1 | NOVEL 4-(ARYL-4-SULFONYL)-6,6a,7,8,9,10-HEXAHYDRO-4H-4,8,10a-TRIAZA-ACEPHENANTHRYLENE AND 3-ARYLSULFONYL-6,6a,7,8,9,10-HEXAHYDRO-3H-3,8,10a-TRIAZA-CYCLOPENTA[C]FLUORENE DERIVATIVES AS SEROTONIN 5-HT6 LIGANDS | H. LUNDBECK A/S (DK) | 2011-07-28 | — | — | WO | disclosed |