Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | PDE2A | O00408 | 4/20 | 0.36 |
| ▸ | AKT1 | P31749 | 3/20 | 0.35 |
| ▸ | RPS6KA1 | Q15418 | 3/20 | 0.35 |
| ▸ | PRKCA | P17252 | 1/20 | 0.35 |
| ▸ | GRK2 | P25098 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.30 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | FABP2 | P12104 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19595077 | 0.84 | ADRB2 (0.39) | ADRB2PDE2APTGS1LMNA | |
| SCHEMBL7785721 | 0.79 | ADRB2 (0.50) | ADRB2PDE2AAKT1RPS6KA1PRKCA | |
| SCHEMBL1240557 | 0.79 | ADRB2 (0.50) | ADRB2PDE2AAKT1RPS6KA1PRKCA | |
| SCHEMBL1585297 | 0.79 | ADRB2 (0.50) | ADRB2PDE2AAKT1RPS6KA1PRKCA | |
| Hydrochloric Acid SCHEMBL3705079 | 0.77 | ADRB2 (0.48) | ADRB2PDE2AAKT1RPS6KA1PRKCA | |
| Hydrochloric Acid SCHEMBL7795507 | 0.77 | ADRB2 (0.48) | ADRB2PDE2AAKT1RPS6KA1PRKCA | |
| Hydrochloric Acid SCHEMBL7780415 | 0.77 | ADRB2 (0.48) | ADRB2PDE2AAKT1RPS6KA1PRKCA | |
| Hydrochloric Acid SCHEMBL1585555 | 0.77 | ADRB2 (0.48) | ADRB2PDE2AAKT1RPS6KA1PRKCA | |
| SCHEMBL23122278 | 0.75 | AKR1C3 (0.45) | ADRB2PDE2AAKT1RPS6KA1PRKCA | |
| SCHEMBL18280590 | 0.75 | AKR1C3 (0.45) | ADRB2PDE2AAKT1RPS6KA1PRKCA |
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-3107900-B1 | 5-BENZYLISOQUINOLEINE DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR DISEASES | SERVIER LAB (FR) | 2017-11-15 | — | — | EP | disclosed |