Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.33 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.32 |
| ▸ | F2RL3 | Q96RI0 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19783469 | 0.78 | HTT (0.43) | PTGS2CYP11B1CYP11B2F2RL3 | |
| SCHEMBL30187685 | 0.70 | F2RL3 (0.62) | F2RL3 | |
| SCHEMBL19783257 | 0.70 | F2RL3 (0.62) | F2RL3 | |
| SCHEMBL7995902 | 0.68 | PTGS2 (0.48) | PTGS2CYP11B1CYP11B2IP6K1IP6K3 | |
| SCHEMBL31211626 | 0.64 | PTGS2 (0.47) | PTGS2CYP11B1CYP11B2IP6K1IP6K3 | |
| SCHEMBL29399322 | 0.64 | PTGS2 (0.53) | PTGS2CYP11B1CYP11B2IP6K1IP6K3 | |
| SCHEMBL22557620 | 0.64 | PTGS2 (0.53) | PTGS2CYP11B1CYP11B2IP6K1IP6K3 | |
| SCHEMBL6280771 | 0.63 | CYP11B1 (0.51) | PTGS2CYP11B1CYP11B2IP6K1IP6K3 | |
| SCHEMBL29897853 | 0.63 | CYP11B1 (0.51) | PTGS2CYP11B1CYP11B2IP6K1IP6K3 | |
| SCHEMBL30268490 | 0.63 | PTGS2 (0.46) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2018013774-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-01-18 | — | — | WO | disclosed |