Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.46 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.46 |
| ▸ | P2RY12 | Q9H244 | 2/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | IGF1R | P08069 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.44 |
| ▸ | PTGES | O14684 | 1/20 | 0.44 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.43 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31265269 | 0.91 | CYP1A2 (0.62) | CYP1A2SIGMAR1LTA4HEPHX2HDAC1 | |
| SCHEMBL81147 | 0.91 | CYP1A2 (0.62) | CYP1A2SIGMAR1LTA4HEPHX2HDAC1 | |
| SCHEMBL5855257 | 0.88 | CYP2A6 (0.43) | CYP1A2SIGMAR1PDE3BPDE3AP2RY12 | |
| SCHEMBL16170703 | 0.88 | CYP2A6 (0.50) | CYP1A2SIGMAR1PDE3BPDE3AP2RY12 | |
| SCHEMBL16414413 | 0.88 | SLC6A2 (0.47) | CYP1A2SIGMAR1PDE3BPDE3AP2RY12 | |
| SCHEMBL9716439 | 0.88 | CYP3A4 (0.50) | KDM4EALDH1A1PPARA | |
| SCHEMBL16414559 | 0.88 | IGF1R (0.46) | CYP1A2SIGMAR1PDE3BPDE3AP2RY12 | |
| SCHEMBL130490 | 0.85 | CYP1A2 (0.61) | CYP1A2SIGMAR1IGF1RALOX15HDAC1 | |
| SCHEMBL9538995 | 0.84 | CYP1A2 (0.61) | CYP1A2IGF1RALOX15ALOX5PTGES | |
| SCHEMBL16638878 | 0.84 | LTA4H (0.44) | CYP1A2SIGMAR1PDE3BPDE3AP2RY12 |
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-5093370-A | Useful prior to insertion of tracheotomy tube or discission | TOBISHI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) | 1992-03-03 | — | — | US | disclosed |