Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | PADI1 | Q9ULC6 | 2/20 | 0.40 |
| ▸ | PADI3 | Q9ULW8 | 2/20 | 0.40 |
| ▸ | PADI4 | Q9UM07 | 2/20 | 0.40 |
| ▸ | PADI2 | Q9Y2J8 | 2/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.38 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.38 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21801915 | 0.79 | PARP10 (0.42) | IDO1PADI1PADI3PADI4PADI2 | |
| SCHEMBL21801784 | 0.76 | PADI1 (0.46) | PADI1PADI3PADI4PADI2PDE4A | |
| SCHEMBL21801734 | 0.73 | PARP10 (0.42) | IDO1PADI1PADI3PADI4PADI2 | |
| SCHEMBL21801713 | 0.69 | P4HB (0.40) | PADI1PADI3PADI4PADI2PDE4A | |
| SCHEMBL21801777 | 0.65 | PADI1 (0.64) | PADI1PADI3PADI4PADI2 | |
| SCHEMBL38657570 | 0.64 | IDO1 (0.51) | IDO1PARP10PARP11CDC7ROCK2 | |
| SCHEMBL980557 | 0.64 | IDO1 (0.51) | IDO1PARP10PARP11CDC7ROCK2 | |
| SCHEMBL21801898 | 0.63 | PADI1 (0.50) | IDO1PADI1PADI3PADI4PADI2 | |
| SCHEMBL19762806 | 0.63 | IDO1 (0.50) | IDO1GSK3BCYP19A1CCNCCDK8 | |
| SCHEMBL16232294 | 0.63 | IDO1 (0.50) | IDO1PARP10PARP11CDC7ROCK2 |
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-2020055192-A2 | PREPARATION METHOD FOR QUINOLINE-5, 8-DIONE DERIVATIVE WHICH IS TGASE 2 INHIBITOR | 재단법인 대구경북첨단의료산업진흥재단 | 2020-03-19 | — | — | WO | disclosed |