Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.51 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.49 |
| ▸ | LTA4H | P09960 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.43 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.43 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.43 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.43 |
| ▸ | ATP1A2 | P50993 | 1/20 | 0.43 |
| ▸ | ATP1B3 | P54709 | 1/20 | 0.43 |
| ▸ | FXYD2 | P54710 | 1/20 | 0.43 |
| ▸ | ATP1A4 | Q13733 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4953608 | 0.82 | HRH3 (0.49) | KEAP1NFE2L2HRH3LTA4HCYP3A4 | |
| SCHEMBL8704462 | 0.81 | SPHK1 (0.44) | HRH3CYP3A4CYP2C9KCNH2SPHK1 | |
| SCHEMBL615167 | 0.81 | HRH3 (0.56) | KEAP1NFE2L2HRH3LTA4HCYP3A4 | |
| Hydrochloric Acid SCHEMBL29455781 | 0.81 | HRH3 (0.47) | KEAP1NFE2L2HRH3LTA4HCYP3A4 | |
| SCHEMBL8363115 | 0.81 | HRH3 (0.51) | KEAP1NFE2L2HRH3LTA4HCYP3A4 | |
| Hydrochloric Acid SCHEMBL4146533 | 0.81 | HRH3 (0.47) | KEAP1NFE2L2HRH3LTA4HCYP3A4 | |
| SCHEMBL8595904 | 0.79 | SPHK1 (0.51) | ALDH1A1SPHK1 | |
| SCHEMBL8705871 | 0.79 | SPHK1 (0.46) | HRH3CYP3A4CYP2C9KCNH2SPHK1 | |
| SCHEMBL8705874 | 0.79 | SPHK1 (0.46) | HRH3CYP3A4CYP2C9KCNH2SPHK1 | |
| SCHEMBL8706799 | 0.78 | SPHK1 (0.44) | HRH3CYP3A4CYP2C9KCNH2KDM4E |
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-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 |
| 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-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 |