Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 20/20 | 0.58 |
| ▸ | THRB | P10828 | 20/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.54 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24450095 | 0.89 | THRA (0.70) | THRATHRBCYP2C9CYP2C8UGT1A1 | |
| SCHEMBL28668266 | 0.81 | THRA (0.55) | THRATHRBCYP2C9CYP2C8UGT1A1 | |
| SCHEMBL31347904 | 0.81 | THRA (0.57) | THRATHRBCYP2C9CYP2C8UGT1A1 | |
| SCHEMBL24449334 | 0.81 | THRA (0.57) | THRATHRBCYP2C9CYP2C8UGT1A1 | |
| SCHEMBL24408097 | 0.77 | THRA (0.70) | THRATHRBCYP2C9CYP2C8UGT1A1 | |
| SCHEMBL28667323 | 0.77 | THRA (0.58) | THRATHRBCYP2C9CYP2C8UGT1A1 | |
| SCHEMBL24449978 | 0.74 | THRA (0.63) | THRATHRBCYP2C9CYP2C8UGT1A1 | |
| SCHEMBL31347914 | 0.74 | THRA (0.63) | THRATHRBCYP2C9CYP2C8UGT1A1 | |
| SCHEMBL2920565 | 0.74 | THRA (1.00) | THRATHRBCYP2C9CYP2C8UGT1A1 | |
| SCHEMBL24449956 | 0.73 | THRA (0.65) | THRATHRBCYP2C9CYP2C8UGT1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113698388-B | 6-oxo-1, 6-dihydropyridine derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2022-11-22 | — | — | CN | disclosed |
| CN-113698388-A | 6-oxo-1, 6-dihydropyridine derivatives, preparation method and application thereof in medicines | 江苏恒瑞医药股份有限公司 | 2021-11-26 | — | — | CN | disclosed |