Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Linrodostat. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 known ✓ | P14902 | 20/20 | 0.98 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.98 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.98 |
| ▸ | TDO2 | P48775 | 2/20 | 0.98 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.98 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.98 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| Linrodostat SCHEMBL29899489 | 0.99 | IDO1 (0.96) | IDO1CYP2C9CYP2C8TDO2CYP3A4 | |
| Linrodostat SCHEMBL21354182 | 0.99 | IDO1 (1.00) | IDO1CYP2C9CYP2C8TDO2CYP3A4 | |
| Linrodostat SCHEMBL22808959 | 0.99 | IDO1 (1.00) | IDO1CYP2C9CYP2C8TDO2CYP3A4 | |
| Linrodostat SCHEMBL17747251 | 0.99 | IDO1 (1.00) | IDO1CYP2C9CYP2C8TDO2CYP3A4 | |
| Linrodostat SCHEMBL20971679 | 0.99 | IDO1 (1.00) | IDO1CYP2C9CYP2C8TDO2CYP3A4 | |
| Linrodostat SCHEMBL20620606 | 0.99 | IDO1 (1.00) | IDO1CYP2C9CYP2C8TDO2CYP3A4 | |
| Linrodostat SCHEMBL21354158 | 0.99 | IDO1 (1.00) | IDO1CYP2C9CYP2C8TDO2CYP3A4 | |
| Linrodostat SCHEMBL21354184 | 0.99 | IDO1 (1.00) | IDO1CYP2C9CYP2C8TDO2CYP3A4 | |
| Linrodostat SCHEMBL20620607 | 0.99 | IDO1 (1.00) | IDO1CYP2C9CYP2C8TDO2CYP3A4 | |
| Linrodostat SCHEMBL19105151 | 0.99 | IDO1 (1.00) | IDO1CYP2C9CYP2C8TDO2CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115151306-A | Salts/co-crystals of (R) -N- (4-chlorophenyl) -2- ((1S, 4S) -4- (6-fluoroquinolin-4-yl) cyclohexyl) propanamide | 百时美施贵宝公司 | 2022-10-04 | — | — | CN | claimed |
| CN-115151306-A | Salts/co-crystals of (R) -N- (4-chlorophenyl) -2- ((1S, 4S) -4- (6-fluoroquinolin-4-yl) cyclohexyl) propanamide | 百时美施贵宝公司 | 2022-10-04 | — | — | CN | disclosed |
| WO-2021108288-A1 | SALTS/COCRYSTALS OF (R)-N-(4-CHLOROPHENYL)-2-((1S,4S)-4-(6-FLUOROQUINOLIN-4-YL)CYCLOHEXYL)PROPANAMIDE | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-06-03 | — | — | WO | disclosed |