Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.60 |
| ▸ | APP | P05067 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | MAOB | P27338 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | NT5E | P21589 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | FLT3 | P36888 | 1/20 | 0.46 |
| ▸ | MGLL | Q99685 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | TYR | P14679 | 1/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13125644 | 0.85 | CYP2A6 (0.56) | CYP2A6APPKDM4EMAOBCYP1A2 | |
| SCHEMBL17576043 | 0.80 | CYP2A6 (0.51) | CYP2A6APPKDM4EMAOBCYP1A2 | |
| SCHEMBL1706926 | 0.79 | CYP2A6 (0.64) | CYP2A6APPKDM4EMAOBCYP1A2 | |
| SCHEMBL16347542 | 0.79 | CYP2A6 (0.54) | CYP2A6APPKDM4EMAOBCYP1A2 | |
| SCHEMBL15374592 | 0.79 | CYP2A6 (0.50) | CYP2A6APPKDM4EMAOBCYP1A2 | |
| SCHEMBL2803711 | 0.78 | CYP2A6 (0.53) | CYP2A6APPKDM4EMAOBCYP1A2 | |
| SCHEMBL2803709 | 0.78 | CYP2A6 (0.53) | CYP2A6APPKDM4EMAOBCYP1A2 | |
| SCHEMBL2803708 | 0.78 | CYP2A6 (0.53) | CYP2A6APPKDM4EMAOBCYP1A2 | |
| SCHEMBL9799652 | 0.77 | MAPT (0.62) | CYP2A6APPKDM4EMAOBCYP1A2 | |
| SCHEMBL30963012 | 0.77 | MAPT (0.62) | CYP2A6APPKDM4EMAOBCYP1A2 |
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-8481732-B2 | Substituted heterocyclic compounds | INCYTE CORPORATION (US) | 2013-07-09 | — | — | US | disclosed |