Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 14/20 | 0.54 |
| ▸ | THRB | P10828 | 14/20 | 0.54 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 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 | |
|---|---|---|---|---|
| SCHEMBL29488645 | 0.92 | THRA (0.57) | THRATHRBCYP2C8CYP2C9MAPT | |
| SCHEMBL29488650 | 0.90 | THRA (0.55) | THRATHRBCYP2C8CYP2C9MAPT | |
| SCHEMBL29488642 | 0.89 | THRA (0.52) | THRATHRBKMT2A | |
| SCHEMBL24820875 | 0.82 | THRA (0.54) | THRATHRBCYP2C8CYP2C9MAPT | |
| SCHEMBL29488653 | 0.82 | THRA (0.56) | THRATHRBCYP2C8CYP2C9 | |
| SCHEMBL24821078 | 0.80 | THRA (0.65) | THRATHRBCYP2C8CYP2C9MAPT | |
| SCHEMBL29488657 | 0.79 | THRA (0.57) | THRATHRBCYP2C8CYP2C9MAPT | |
| SCHEMBL29488640 | 0.78 | THRA (0.59) | THRATHRBCYP2C8CYP2C9MAPT | |
| SCHEMBL29488649 | 0.77 | MAPT (0.40) | THRBMAPTHTTADORA3LMNA | |
| SCHEMBL24600250 | 0.76 | THRA (0.50) | THRATHRBCYP2C8CYP2C9MAPT |
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-2022068915-A1 | 6-OXO-1,6-DIHYDROPYRIDAZIN DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINE | 江苏恒瑞医药股份有限公司 | 2022-04-07 | — | — | WO | disclosed |