Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 9/20 | 0.54 |
| ▸ | TDO2 | P48775 | 4/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.54 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.49 |
| ▸ | CCR3 | P51677 | 2/20 | 0.48 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | EIF4A3 | P38919 | 1/20 | 0.46 |
| ▸ | MGLL | Q99685 | 1/20 | 0.45 |
| ▸ | FNTA | P49354 | 1/20 | 0.42 |
| ▸ | FNTB | P49356 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21400794 | 1.00 | IDO1 (0.54) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL21400790 | 1.00 | IDO1 (0.54) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL21400643 | 0.88 | CCR3 (0.50) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL21400800 | 0.87 | IDO1 (0.69) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL21400832 | 0.87 | IDO1 (0.69) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL21400830 | 0.87 | IDO1 (0.69) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL21400645 | 0.86 | CCR3 (0.49) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL21384595 | 0.81 | CHRM2 (0.54) | CHRM2CCR3 | |
| SCHEMBL22808972 | 0.81 | IDO1 (0.76) | IDO1TDO2CYP2C9CYP2C8CYP3A4 | |
| SCHEMBL22808960 | 0.81 | IDO1 (0.76) | IDO1TDO2CYP2C9CYP2C8CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111630043-B | Compound containing ring, preparation method and application thereof in medicine | 四川科伦博泰生物医药股份有限公司 | 2022-02-15 | — | — | CN | disclosed |
| CN-111630043-A | Compound containing ring, preparation method and application thereof in medicine | 四川科伦博泰生物医药股份有限公司 | 2020-09-04 | — | — | CN | disclosed |
| WO-2019179369-A1 | RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL APPLICATION THEREOF | 四川科伦博泰生物医药股份有限公司 | 2019-09-26 | — | — | WO | disclosed |
| WO-2019179369-A1 | RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL APPLICATION THEREOF | 四川科伦博泰生物医药股份有限公司 | 2019-09-26 | — | — | WO | disclosed |