Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM4 | Q14833 | 2/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | CDK9 | P50750 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MET | P08581 | 1/20 | 0.34 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 4/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.34 |
| ▸ | HRH2 | P25021 | 1/20 | 0.34 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.34 |
| ▸ | BRAF | P15056 | 2/20 | 0.33 |
| ▸ | RAF1 | P04049 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21187166 | 0.85 | MET (0.37) | PDE4BCASP3CDK9CASP7MET | |
| SCHEMBL21187156 | 0.85 | NPC1 (0.43) | GRM4CASP3RAB9A | |
| SCHEMBL21187221 | 0.84 | IDO1 (0.39) | RAB9AMETIDO1KCNH2CYP2C9 | |
| SCHEMBL21187158 | 0.79 | PDE4B (0.37) | PDE4BCASP3CDK9CASP7MET | |
| SCHEMBL21187153 | 0.74 | NPC1 (0.45) | GRM4CASP3RAB9A | |
| SCHEMBL21187157 | 0.74 | NPC1 (0.41) | RAB9AIDO1 | |
| SCHEMBL21187146 | 0.74 | SMN1; SMN2 (0.41) | CYP2C9 | |
| SCHEMBL21187131 | 0.73 | IDO1 (0.50) | RAB9AIDO1KCNH2KDRCYP2C9 | |
| SCHEMBL21187138 | 0.73 | IDO1 (0.50) | RAB9AIDO1KCNH2KDRCYP2C9 | |
| SCHEMBL21187092 | 0.73 | EPHX2 (0.38) | RAB9AMETIDO1CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |