Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.58 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.47 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 2/20 | 0.38 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.38 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.38 |
| ▸ | HTR1D | P28221 | 2/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.36 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.36 |
| ▸ | TRIM33 | Q9UPN9 | 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 | |
|---|---|---|---|---|
| SCHEMBL11761255 | 1.00 | CYP2A6 (0.58) | CYP2A6IMPDH2IMPDH1SLC6A4MAP2K1 | |
| SCHEMBL29952428 | 0.78 | CYP2A6 (0.70) | CYP2A6IMPDH2PIM1PIM3PIM2 | |
| SCHEMBL29957932 | 0.75 | CYP2A6 (0.38) | CYP2A6IMPDH2IMPDH1HTR1DHTR1B | |
| SCHEMBL248842 | 0.75 | CYP2A6 (0.66) | CYP2A6IMPDH2PIM1PIM3PIM2 | |
| SCHEMBL29408411 | 0.75 | CYP2A6 (0.66) | CYP2A6IMPDH2PIM1PIM3PIM2 | |
| SCHEMBL1337252 | 0.74 | CYP2A6 (0.64) | CYP2A6IMPDH2SLC6A4PIM1PIM3 | |
| SCHEMBL644301 | 0.74 | CYP2A6 (1.00) | CYP2A6IMPDH2SLC6A4PIM1PIM3 | |
| SCHEMBL6863442 | 0.74 | CYP2A6 (0.64) | CYP2A6IMPDH2PIM1PIM3PIM2 | |
| SCHEMBL12361360 | 0.74 | SLC6A4 (0.48) | IMPDH2IMPDH1SLC6A4MAP2K1MCL1 | |
| SCHEMBL1092485 | 0.74 | CYP2A6 (0.64) | CYP2A6IMPDH2SLC6A4PIM1PIM3 |
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 |