Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.62 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.47 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.47 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.44 |
| ▸ | TUBB | P07437 | 1/20 | 0.44 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.44 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.44 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.44 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.44 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.44 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.44 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.44 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.44 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.44 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.44 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.44 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.44 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9287208 | 1.00 | CYP2A6 (0.62) | CYP2A6PLA2G4APTGER4TUBB4ATUBB | |
| SCHEMBL29952158 | 0.86 | CYP2A6 (0.62) | CYP2A6PLA2G4APTGER4APPMTNR1A | |
| SCHEMBL1126156 | 0.86 | CYP2A6 (0.62) | CYP2A6PLA2G4APTGER4APPMTNR1A | |
| SCHEMBL9071620 | 0.83 | CYP2A6 (0.57) | CYP2A6PLA2G4APTGER4TUBB4ATUBB | |
| SCHEMBL28256606 | 0.82 | CYP2A6 (0.53) | CYP2A6PLA2G4APTGER4NPC1HSP90AA1 | |
| SCHEMBL28265973 | 0.82 | CYP2A6 (0.56) | CYP2A6PLA2G4APTGER4 | |
| SCHEMBL28396139 | 0.81 | CYP2A6 (0.60) | CYP2A6PLA2G4APTGER4NPC1HSP90AA1 | |
| SCHEMBL28623782 | 0.80 | CYP2A6 (0.58) | CYP2A6PLA2G4ANPC1HSP90AA1HDAC3 | |
| SCHEMBL15822859 | 0.80 | CYP2A6 (0.54) | CYP2A6PLA2G4APTGER4NPC1HSP90AA1 | |
| SCHEMBL9009149 | 0.80 | CYP2A6 (0.58) | CYP2A6PLA2G4AHTR2AHTR2C |
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 2 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 |
| EP-4073054-A1 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF TUMORS | Fondazione Istituto Italiano di Tecnologia (IT) | 2022-10-19 | — | — | EP | disclosed |