Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | PI4KA | P42356 | 1/20 | 0.44 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.42 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 11/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.39 |
| ▸ | SLC6A7 | Q99884 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7504473 | 0.83 | CYP2A6 (0.46) | CYP2A6HSD17B1PDGFRBPDGFRAHSD17B2 | |
| SCHEMBL10722698 | 0.80 | CYP2A6 (0.44) | CYP2A6HSD17B1PDGFRBPDGFRAGRIN2B | |
| SCHEMBL10726890 | 0.78 | CYP2A6 (0.41) | CYP2A6HSD17B1PDGFRBPDGFRAGRIN2B | |
| SCHEMBL10727079 | 0.76 | CYP2A6 (0.41) | CYP2A6HSD17B1PDGFRBPDGFRAGRIN2B | |
| SCHEMBL10727162 | 0.75 | CYP2A6 (0.40) | CYP2A6HSD17B1PDGFRBPDGFRAGRIN2B | |
| SCHEMBL10724874 | 0.75 | CYP2A6 (0.40) | CYP2A6HSD17B1PDGFRBPDGFRAGRIN2B | |
| SCHEMBL6879617 | 0.74 | NOTUM (0.47) | PIK3CAPI4KAPI4KB | |
| SCHEMBL7505457 | 0.73 | CYP2A6 (0.55) | CYP2A6PIK3CAPI4KAPI4KBHSD17B1 | |
| SCHEMBL7502993 | 0.69 | CYP2A6 (0.39) | CYP2A6HSD17B1HSD17B2 | |
| SCHEMBL510846 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1420882-A | Substd. oxoazaheterocyclyl compounds | AVENTIS PHARM PROD INC (US) | 2003-05-28 | — | — | CN | disclosed |
| EP-1208097-A2 | SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS | Aventis Pharmaceuticals Inc. (US) | 2002-05-29 | — | — | EP | disclosed |
| WO-2001007436-A2 | SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS | AVENTIS PHARMACEUTICALS INC. (US) | 2001-02-01 | — | — | WO | disclosed |