Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.62 |
| ▸ | C1S | P09871 | 1/20 | 0.52 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.51 |
| ▸ | CHRNG | P07510 | 1/20 | 0.51 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.51 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.51 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.51 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | CHRND | Q07001 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9040971 | 0.85 | PARP1 (0.58) | PARP1C1SCHRNA1CHRNGCHRNB1 | |
| SCHEMBL8398736 | 0.85 | PARP1 (0.58) | PARP1C1SCHRNA1CHRNGCHRNB1 | |
| Hydrochloric Acid SCHEMBL22557048 | 0.83 | PARP1 (0.56) | PARP1C1SCHRNA1CHRNGCHRNB1 | |
| SCHEMBL10848105 | 0.82 | PARP1 (0.59) | PARP1C1SCHRNA1CHRNGCHRNB1 | |
| SCHEMBL3125040 | 0.80 | CHRNA1 (0.59) | PARP1C1SCHRNA1CHRNGCHRNB1 | |
| SCHEMBL29922182 | 0.80 | CHRNA1 (0.59) | PARP1C1SCHRNA1CHRNGCHRNB1 | |
| SCHEMBL362529 | 0.80 | PARP1 (0.57) | PARP1C1SCHRNA1CHRNGCHRNB1 | |
| SCHEMBL27991491 | 0.80 | PARP1 (0.57) | PARP1C1SCHRNA1CHRNGCHRNB1 | |
| SCHEMBL2599175 | 0.78 | CHRNA1 (0.58) | PARP1C1SCHRNA1CHRNGCHRNB1 | |
| SCHEMBL633367 | 0.78 | CHRNA1 (0.58) | PARP1C1SCHRNA1CHRNGCHRNB1 |
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-104478740-A | Synthesis method of stable isotope-labeled beta receptor agonist type compound | SHANGHAI RES INST CHEMICAL IND | 2015-04-01 | — | — | CN | claimed |
| CN-104478740-A | Synthesis method of stable isotope-labeled beta receptor agonist type compound | SHANGHAI RES INST CHEMICAL IND | 2015-04-01 | — | — | CN | disclosed |