Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.38 |
| ▸ | PLG | P00747 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | QDPR | P09417 | 1/20 | 0.35 |
| ▸ | HTR1F | P30939 | 2/20 | 0.35 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.35 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.35 |
| ▸ | HTR1D | P28221 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17001816 | 0.83 | PARP1 (0.35) | PARP1ADORA1PLGHTR2AHTR1F | |
| SCHEMBL30490878 | 0.75 | MAPK14 (0.46) | — | |
| SCHEMBL9910973 | 0.74 | DRD4 (0.35) | PARP1PLGHTR2AQDPRHTR1F | |
| SCHEMBL17001834 | 0.72 | PARP1 (0.42) | PARP1ADORA1PLGHTR1FERCC1 | |
| SCHEMBL15431908 | 0.72 | HRH3 (0.39) | PARP1PLGQDPRHTR1FHTR1D | |
| SCHEMBL25810568 | 0.72 | DRD4 (0.37) | PARP1PLGHTR2AHTR1FERCC1 | |
| SCHEMBL13572996 | 0.72 | KDM4E (0.45) | ADORA1MEN1GMNNLMNACYP1A2 | |
| SCHEMBL22860618 | 0.71 | PARP1 (0.44) | PARP1PLGHTR2AQDPRHTR1F | |
| SCHEMBL6883705 | 0.70 | PKM (0.62) | PARP1KMT2A | |
| SCHEMBL5255708 | 0.68 | ADRA1A (0.51) | PLGHTR1FHTR1DHTR1B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023144160-A1 | NEW HETEROCYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2023-08-03 | — | — | WO | disclosed |