Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 20/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.63 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | TDO2 | P48775 | 1/20 | 0.63 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.63 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL21475931 | 1.00 | IDO1 (0.65) | IDO1CYP2C9CYP2C8CYP3A4TDO2 | |
| SCHEMBL28682421 | 0.91 | IDO1 (0.58) | IDO1CYP2C9CYP2C8CYP3A4TDO2 | |
| SCHEMBL28682418 | 0.91 | IDO1 (0.58) | IDO1CYP2C9CYP2C8CYP3A4TDO2 | |
| SCHEMBL28683540 | 0.90 | IDO1 (0.57) | IDO1CYP2C9CYP2C8CYP3A4TDO2 | |
| SCHEMBL28450152 | 0.89 | IDO1 (0.71) | IDO1CYP2C9CYP2C8CYP3A4TDO2 | |
| SCHEMBL20620297 | 0.89 | IDO1 (0.71) | IDO1CYP2C9CYP2C8CYP3A4TDO2 | |
| SCHEMBL29618935 | 0.89 | IDO1 (0.71) | IDO1CYP2C9CYP2C8CYP3A4TDO2 | |
| SCHEMBL20620296 | 0.89 | IDO1 (0.71) | IDO1CYP2C9CYP2C8CYP3A4TDO2 | |
| SCHEMBL19807358 | 0.89 | IDO1 (0.53) | IDO1CYP2C9CYP2C8CYP3A4TDO2 | |
| SCHEMBL17729117 | 0.89 | IDO1 (0.56) | IDO1CYP2C9CYP2C8CYP3A4TDO2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111247119-B | Amidine and guanidine derivatives, preparation method and application thereof in medicines | 四川科伦博泰生物医药股份有限公司 | 2023-02-03 | — | — | CN | disclosed |
| EP-3854394-A1 | IMMUNOREGULATORY AGENTS | Flexus Biosciences, Inc. (US) | 2021-07-28 | — | — | EP | disclosed |
| EP-3215153-B1 | IMMUNOREGULATORY AGENTS | FLEXUS BIOSCIENCES INC (US) | 2020-12-23 | — | — | EP | disclosed |
| CN-112004790-A | Novel indoleamine 2, 3-dioxygenase inhibitor and preparation method and application thereof | 信达生物制药(苏州)有限公司 | 2020-11-27 | — | — | CN | disclosed |
| CN-111247119-A | Amidine and guanidine derivatives, preparation method and application thereof in medicines | 四川科伦博泰生物医药股份有限公司 | 2020-06-05 | — | — | CN | disclosed |
| WO-2019196780-A1 | NOVEL INDOLEAMINE 2,3-DIOXYGENASE INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF | 信达生物制药(苏州)有限公司 | 2019-10-17 | — | — | WO | disclosed |
| WO-2019196780-A1 | NOVEL INDOLEAMINE 2,3-DIOXYGENASE INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF | 信达生物制药(苏州)有限公司 | 2019-10-17 | — | — | WO | disclosed |
| WO-2019141095-A1 | AMIDINE AND GUANIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2019-07-25 | — | — | WO | disclosed |