Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22474487 | 1.00 | HTR1A (0.33) | HTR1AHTR7HTR2BTMEM97SIGMAR1 | |
| SCHEMBL22474494 | 0.79 | PARP1 (0.31) | PARP1 | |
| SCHEMBL22474526 | 0.79 | DRD2 (0.42) | — | |
| SCHEMBL22474477 | 0.79 | DRD2 (0.38) | HTR1AHTR7ADRA2APARP1 | |
| SCHEMBL22474507 | 0.79 | TDP1 (0.36) | HTR1AHTR7HTR2BADRA2AADRA2B | |
| SCHEMBL22474530 | 0.79 | DRD2 (0.38) | HTR1AHTR7ADRA2APARP1 | |
| SCHEMBL4596028 | 0.74 | PARP1 (0.33) | PARP1 | |
| SCHEMBL4596031 | 0.74 | PARP1 (0.54) | HTR1APARP1 | |
| SCHEMBL13993008 | 0.71 | PRKAB2 (0.36) | PARP1 | |
| SCHEMBL22474508 | 0.71 | DRD1 (0.40) | — |
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-2876108-B1 | COMPOUNDS OF CHIRAL AROMATIC SPIROKETAL DIPHOSPHINE LIGANDS, PREPARATION METHODS AND USES THEREOF | SHANGHAI INST ORGANIC CHEMISTRY CAS (CN) | 2020-09-30 | — | — | EP | disclosed |