Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.35 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 3/20 | 0.35 |
| ▸ | DRD4 | P21917 | 3/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.31 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6287678 | 0.79 | PTGS2 (0.54) | PTGS2CYP2A6CYP11B1CYP11B2IP6K1 | |
| SCHEMBL27999785 | 0.76 | PTGS2 (0.42) | PTGS2CYP1A2CYP11B1CYP11B2IP6K1 | |
| SCHEMBL7949503 | 0.74 | CYP2A6 (0.67) | CYP1A2CYP2A6TDP1 | |
| SCHEMBL6280771 | 0.74 | CYP11B1 (0.51) | PTGS2CYP11B1CYP11B2IP6K1IP6K3 | |
| SCHEMBL29897853 | 0.74 | CYP11B1 (0.51) | PTGS2CYP11B1CYP11B2IP6K1IP6K3 | |
| SCHEMBL7177911 | 0.73 | PTGS2 (0.47) | PTGS2CYP1A2CYP2A6CYP11B1CYP11B2 | |
| SCHEMBL4269308 | 0.72 | PTGS2 (0.46) | PTGS2CYP1A2CYP2A6CYP11B1CYP11B2 | |
| SCHEMBL7180542 | 0.72 | PTGS2 (0.67) | PTGS2CYP11B1CYP11B2IP6K1IP6K3 | |
| SCHEMBL29672905 | 0.72 | PTGS2 (0.67) | PTGS2CYP11B1CYP11B2IP6K1IP6K3 | |
| SCHEMBL8080061 | 0.72 | PTGS2 (0.62) | PTGS2CYP11B1CYP11B2IP6K1IP6K3 |
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-6284905-B1 | GROUP 4 TRANSITION METAL COMPLEX CONTAINING A BORON OR ALUMINUM BRIDGING GROUP CONTAINING A NITROGEN CONTAINING ELECTRON DONATING GROUP, ESPECIALLY AN AMIDO GROUP; OLEFIN SOLUTION OR SLURRY POLYMERIZATION CATALYSTS | THE DOW CHEMICAL COMPANY | 2001-09-04 | — | — | US | disclosed |