Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 2/20 | 0.47 |
| ▸ | HTR2C | P28335 | 11/20 | 0.47 |
| ▸ | HTR2B | P41595 | 9/20 | 0.47 |
| ▸ | HTR2A | P28223 | 5/20 | 0.47 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.42 |
| ▸ | ITGA5 | P08648 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGAV | P06756 | 1/20 | 0.41 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3645088 | 0.81 | TACR1 (0.46) | HTR2CHTR2BHTR2ATACR1HTR6 | |
| SCHEMBL5384916 | 0.81 | TACR1 (0.59) | HTR2CHTR2BHTR2ATACR1HTR7 | |
| SCHEMBL20140971 | 0.80 | SLC6A2 (0.53) | ADRB1HTR2CHTR2BHTR2ATSHR | |
| SCHEMBL9396845 | 0.80 | SLC6A2 (0.53) | ADRB1HTR2CHTR2BHTR2ATSHR | |
| Hydrochloric Acid SCHEMBL20140710 | 0.79 | SLC6A2 (0.51) | ADRB1HTR2CHTR2BHTR2ATSHR | |
| SCHEMBL29977101 | 0.79 | HTR1A (0.60) | ADRB1HTR2CHTR2AHTR7HTR6 | |
| SCHEMBL28907620 | 0.79 | HTR1A (0.60) | ADRB1HTR2CHTR2AHTR7HTR6 | |
| SCHEMBL28081734 | 0.78 | ITGB3 (0.53) | ITGB1ITGA5MAPTITGB3ITGAV | |
| SCHEMBL2877579 | 0.77 | ADRB1 (0.54) | ADRB1HTR2CHTR2BHTR2AHTR7 | |
| SCHEMBL21268736 | 0.77 | ADRB1 (0.54) | ADRB1HTR2CHTR2BHTR2AHTR7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101778831-B | piperazine amide derivatives | HOFFMANN LA ROCHE | 2014-08-20 | — | — | CN | disclosed |
| CN-103772299-A | Novel piperazine amide derivatives | HOFFMANN LA ROCHE | 2014-05-07 | — | — | CN | disclosed |