Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 3/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.53 |
| ▸ | DRD1 | P21728 | 3/20 | 0.53 |
| ▸ | DRD3 | P35462 | 3/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.53 |
| ▸ | HTR1A | P08908 | 2/20 | 0.53 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.53 |
| ▸ | BCL2 | P10415 | 1/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.52 |
| ▸ | CDK1 | P06493 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL20105026 | 0.96 | CHRM2 (0.58) | CHRM2ADRA2ACHRM1DRD1DRD3 | |
| SCHEMBL20105038 | 0.92 | CHRM2 (0.60) | CHRM2ADRA2ACHRM1DRD1DRD3 | |
| SCHEMBL21272281 | 0.90 | CHRM2 (0.52) | CHRM2ADRA2ACHRM1DRD1DRD3 | |
| SCHEMBL20105031 | 0.88 | CHRM2 (0.49) | CHRM2ADRA2ACHRM1DRD1DRD3 | |
| SCHEMBL20105030 | 0.84 | HTR2A (0.56) | CHRM2ADRA2ACHRM1DRD1DRD3 | |
| SCHEMBL20105033 | 0.83 | CCNB2 (0.48) | CHRM2ADRA2ACHRM1DRD1DRD3 | |
| SCHEMBL20105042 | 0.82 | CCNB2 (0.53) | CHRM2ADRA2ACHRM1DRD1DRD3 | |
| SCHEMBL20105040 | 0.81 | MAPT (0.52) | CHRM2ADRA2ACHRM1DRD1DRD3 | |
| SCHEMBL20105020 | 0.78 | HTR2A (0.44) | CHRM2ADRA2ACHRM1DRD1DRD3 | |
| SCHEMBL20105027 | 0.75 | CCNB2 (0.46) | TDP1CCNB2CDK1CCNB1CCNB3 |
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-2018080215-A1 | 3-AMINO ALKYLATED INDOLE DERIVATIVE, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | DAEWOONG PHARMACEUTICAL CO., LTD. (KR) | 2018-05-03 | — | — | WO | disclosed |