Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 16/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22607288 | 0.80 | ADRB2 (0.57) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL965133 | 0.77 | ADRB2 (0.50) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL965127 | 0.77 | ADRB2 (0.50) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL965130 | 0.77 | ADRB2 (0.50) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL11184587 | 0.75 | ADRB2 (0.57) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL19236388 | 0.73 | ADRB2 (0.62) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL1311066 | 0.73 | ADRB2 (0.59) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL30988796 | 0.73 | TSHR (0.57) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL14291852 | 0.73 | ADRB2 (0.62) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL29256504 | 0.73 | TSHR (0.57) | ADRB2ADRB1CYP1A2CYP2D6TSHR |
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-8163758-B2 | Phenyl substituted pyrazinoylguanidine sodium channel blockers possessing beta agonist activity | PARION SCIENCES, INC. (US) | 2012-04-24 | — | — | US | disclosed |