Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 16/20 | 0.59 |
| ▸ | THRB | P10828 | 16/20 | 0.59 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29163707 | 0.80 | THRA (0.59) | THRATHRBCYP2C8CYP2C9 | |
| SCHEMBL29163712 | 0.73 | THRA (0.52) | THRATHRBCYP2C8CYP2C9ALDH1A1 | |
| SCHEMBL29163697 | 0.73 | CYP1A1 (0.30) | — | |
| SCHEMBL23245054 | 0.72 | THRA (0.61) | THRATHRBCYP2C8CYP2C9BCAT1 | |
| SCHEMBL24821078 | 0.72 | THRA (0.65) | THRATHRBCYP2C8CYP2C9BCAT1 | |
| SCHEMBL25074237 | 0.71 | THRA (0.65) | THRATHRBCYP2C8CYP2C9 | |
| SCHEMBL24820488 | 0.71 | THRA (0.58) | THRATHRBCYP2C8CYP2C9BCAT1 | |
| SCHEMBL23168582 | 0.70 | THRA (0.61) | THRATHRBCYP2C8CYP2C9NPC1 | |
| SCHEMBL29789606 | 0.70 | THRA (0.55) | THRATHRBCYP2C8CYP2C9BCAT1 | |
| SCHEMBL23168717 | 0.70 | THRA (0.65) | THRATHRBCYP2C8CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117327057-A | Triazine diketone compound as thyroid hormone receptor agonist and synthesis and application thereof | 南京雷正医药科技有限公司 | 2024-01-02 | — | — | CN | disclosed |