Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PPIA | P62937 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21312488 | 0.82 | PARP1 (0.35) | PARP1LMNATSHRMEN1KMT2A | |
| SCHEMBL24119478 | 0.78 | PARP1 (0.33) | PARP1LMNATSHRTP53CYP2D6 | |
| SCHEMBL21311751 | 0.75 | PPIA (0.40) | PARP1MEN1KMT2APPIABCHE | |
| SCHEMBL22879310 | 0.73 | LMNA (0.45) | PARP1LMNATSHRMEN1KMT2A | |
| SCHEMBL20829570 | 0.71 | — | — | |
| SCHEMBL22879514 | 0.71 | ANPEP (0.45) | PARP1MEN1KMT2APPIACHRM1 | |
| SCHEMBL22879359 | 0.71 | PARP1 (0.42) | PARP1LMNATSHRMEN1KMT2A | |
| SCHEMBL22879372 | 0.70 | CYP2C9 (0.40) | PARP1TSHRMEN1KMT2APPIA | |
| SCHEMBL21400548 | 0.69 | HCRTR1 (0.32) | SLC6A2SLC6A4 | |
| SCHEMBL22879356 | 0.67 | BCHE (0.42) | TP53BCHEHTR2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3760620-A1 | RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USAGE THEREOF | Beijing Tide Pharmaceutical Co., Ltd. (CN) | 2021-01-06 | — | — | EP | disclosed |
| WO-2019161781-A1 | RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USAGE THEREOF | 北京泰德制药股份有限公司 | 2019-08-29 | — | — | WO | disclosed |