Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 3/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CLK2 | P49760 | 1/20 | 0.34 |
| ▸ | HIPK1 | Q86Z02 | 1/20 | 0.34 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.34 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.34 |
| ▸ | HIPK3 | Q9H422 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20176803 | 0.96 | CYP11B1 (0.37) | CYP11B1CYP11B2CYP17A1CYP19A1CYP1A2 | |
| SCHEMBL20176636 | 0.91 | ESR1 (0.40) | NPC1GRM4MAPTGSK3BPIK3CD | |
| SCHEMBL26161267 | 0.91 | CYP11B1 (0.36) | CYP11B1CYP11B2CYP17A1CYP19A1CYP1A2 | |
| SCHEMBL20176705 | 0.90 | ESR1 (0.40) | NPC1GRM4MAPTGSK3BPIK3CD | |
| SCHEMBL26160909 | 0.90 | ESR1 (0.40) | NPC1GRM4MAPTGSK3BPIK3CD | |
| SCHEMBL26161172 | 0.90 | ESR1 (0.40) | NPC1GRM4MAPTGSK3BPIK3CD | |
| SCHEMBL22062786 | 0.88 | CASP3 (0.41) | CYP11B1CYP11B2CYP17A1CYP19A1NPC1 | |
| SCHEMBL16067752 | 0.88 | CASP3 (0.41) | CYP11B1CYP11B2CYP17A1CYP19A1NPC1 | |
| SCHEMBL26161377 | 0.88 | ESR1 (0.38) | GRM4MAPTGSK3BPIK3CDPIK3CA | |
| SCHEMBL26160910 | 0.88 | ESR1 (0.40) | CYP11B1CYP11B2GRM4MAPTGSK3B |
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-2019194615-A1 | POLYCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2019-10-10 | — | — | WO | disclosed |