Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | GRM5 | P41594 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | CCR1 | P32246 | 1/20 | 0.44 |
| ▸ | CCR8 | P51685 | 1/20 | 0.44 |
| ▸ | TGFBR1 | P36897 | 7/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | TGFBR2 | P37173 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | PRNP | P04156 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13680686 | 0.85 | CYP2A6 (0.45) | CYP2A6GRM5CCR1CCR8TGFBR1 | |
| SCHEMBL13680678 | 0.80 | CYP2A6 (0.51) | CYP2A6GRM5CCR1CCR8TGFBR1 | |
| SCHEMBL13680675 | 0.79 | CCR1 (0.52) | CYP2A6GRM5CCR1CCR8TGFBR1 | |
| SCHEMBL12270039 | 0.78 | KMT2A (0.61) | ADORA1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL12318239 | 0.76 | NPC1 (0.62) | RAB9AKDM4EPOLBGAANPC1 | |
| SCHEMBL13680679 | 0.75 | CCR1 (0.60) | CYP2A6GRM5CCR1CCR8TGFBR1 | |
| SCHEMBL13680648 | 0.74 | HSD17B10 (0.51) | ADORA3ADORA1MAPK14 | |
| SCHEMBL30146674 | 0.73 | CYP2A6 (0.65) | CYP2A6GRM5CCR1CCR8TGFBR1 | |
| SCHEMBL3421947 | 0.73 | CYP2A6 (0.65) | CYP2A6GRM5CCR1CCR8TGFBR1 | |
| SCHEMBL13680554 | 0.73 | GRM5 (0.53) | CYP2A6GRM5CCR1CCR8TGFBR1 |
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-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |