Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.60 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.59 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.58 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | CNR1 | P21554 | 1/20 | 0.58 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.58 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.58 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.58 |
| ▸ | THPO | P40225 | 1/20 | 0.58 |
| ▸ | BLM | P54132 | 1/20 | 0.58 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL5390387 | 0.89 | PTGS1 (0.74) | PTGS1SLC6A2CYP2D6ADRB2ADRB1 | |
| Hydrochloric Acid SCHEMBL5399286 | 0.88 | MAPT (0.73) | PTGS1SLC6A2CYP2D6ADRB2ADRB1 | |
| Alcohol SCHEMBL11163523 | 0.85 | PTGS1 (0.68) | PTGS1SLC6A2CYP2D6ADRB2ADRB1 | |
| SCHEMBL5317103 | 0.80 | PTGS1 (0.68) | PTGS1SLC6A2CYP2D6ADRB2ADRB1 | |
| SCHEMBL31126368 | 0.80 | PTGS1 (0.68) | PTGS1SLC6A2CYP2D6ADRB2ADRB1 | |
| Hydrochloric Acid SCHEMBL31111430 | 0.79 | MAPT (0.68) | PTGS1SLC6A2CYP2D6ADRB2ADRB1 | |
| SCHEMBL6786842 | 0.76 | ADRB2 (0.59) | PTGS1SLC6A2CYP2D6ADRB2ADRB1 | |
| Prenalterol SCHEMBL10816429 | 0.76 | PTGS1 (1.00) | PTGS1SLC6A2CYP2D6ADRB2ADRB1 | |
| SCHEMBL22639751 | 0.76 | PTGS1 (0.77) | PTGS1SLC6A2CYP2D6ADRB2ADRB1 | |
| Prenalterol SCHEMBL249753 | 0.76 | PTGS1 (1.00) | PTGS1SLC6A2CYP2D6ADRB2ADRB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4378363-A | ADRENERGIC BLOCKING AGENTS | BOEHRINGER MANNHEIM GMBH (DE) | 1983-03-29 | — | — | US | disclosed |