Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RET | P07949 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 4/20 | 0.43 |
| ▸ | HRH1 | P35367 | 4/20 | 0.43 |
| ▸ | CDK8 | P49336 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | HRH2 | P25021 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27430584 | 0.83 | ADRA2A (0.36) | ADRA2AADRA2BHTR2CHTR2B | |
| SCHEMBL8919679 | 0.80 | TSHR (0.36) | HTR2ALMNACYP1A2CYP2D6TSHR | |
| SCHEMBL11308321 | 0.79 | ALDH1A1 (0.37) | LMNACYP2D6 | |
| SCHEMBL30827217 | 0.79 | ALDH1A1 (0.37) | LMNACYP2D6 | |
| SCHEMBL29532169 | 0.79 | TSHR (0.37) | HTR2ALMNACYP1A2CHRM2ADRA2A | |
| SCHEMBL28927087 | 0.78 | ALDH1A1 (0.39) | HTR2ALMNACYP1A2CHRM2ADRA2A | |
| SCHEMBL4766983 | 0.73 | ALDH1A1 (0.40) | CYP1A2CYP2D6TSHRTHPO | |
| SCHEMBL30729415 | 0.73 | RET (0.66) | RETHTR2AHRH1CDK8CDK5 | |
| SCHEMBL30566042 | 0.73 | DRD1 (0.36) | LMNACYP1A2ADRA2ACYP2D6TSHR | |
| SCHEMBL1130831 | 0.72 | RET (0.40) | RETHTR2AHRH1CDK8CDK5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2407470-A2 | Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of HCV replication | F. Hoffmann-La Roche Ltd. (CH) | 2012-01-18 | — | — | EP | disclosed |