Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.37 |
| ▸ | EPM2A | O95278 | 1/20 | 0.37 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.37 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | ERN1 | O75460 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 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 | |
|---|---|---|---|---|
| SCHEMBL4655134 | 0.79 | CYP2A6 (0.47) | CYP2A6PTPN1EPM2APTPN2PTPN22 | |
| SCHEMBL29955848 | 0.79 | KDM4E (0.44) | CYP2A6PTPN1IDO1PIM1KDM4E | |
| SCHEMBL29952506 | 0.79 | LMNA (0.42) | PTPN1IDO1CA2MAPTKDM4E | |
| SCHEMBL10758156 | 0.74 | CYP2A6 (0.43) | CYP2A6PTPN1EPM2APTPN2PTPN22 | |
| SCHEMBL13062396 | 0.74 | LIMK1 (0.50) | CYP2A6IDO1NPC1MAPTCASP1 | |
| SCHEMBL16193339 | 0.71 | IKBKB (0.44) | CYP2A6PTPN1EPM2APTPN2PTPN22 | |
| SCHEMBL5105534 | 0.71 | LIMK1 (0.60) | PTPN1EPM2APTPN2PTPN22PIM1 | |
| SCHEMBL30656385 | 0.71 | L3MBTL1 (0.44) | CYP2A6MAPTRAB9AALDH1A1 | |
| SCHEMBL26661118 | 0.71 | L3MBTL1 (0.44) | CYP2A6MAPTRAB9AALDH1A1 | |
| SCHEMBL9404613 | 0.70 | MAPT (0.40) | CYP2A6PTPN1EPM2APTPN2PTPN22 |
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 |