Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 13/20 | 0.36 |
| ▸ | THRA | P10827 | 12/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL2045628 | 0.85 | LMNA (0.33) | THRBTHRAKDM4ELMNACYP1A2 | |
| SCHEMBL21749438 | 0.83 | THRA (0.38) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL29417446 | 0.83 | THRA (0.38) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL28564386 | 0.83 | THRA (0.36) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL30820597 | 0.83 | THRB (0.39) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL13116309 | 0.83 | THRB (0.39) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL30398362 | 0.83 | THRA (0.41) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL22660386 | 0.83 | THRA (0.41) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL21840329 | 0.83 | THRA (0.38) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL2049678 | 0.80 | RORC (0.38) | THRBKDM4ELMNACYP1A2CYP2C19 |
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-2022127779-A1 | SUBSTITUTED PYRIDAZINONE COMPOUND AND USE THEREOF | 山东第一医科大学(山东省医学科学院) | 2022-06-23 | — | — | WO | disclosed |