Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 15/20 | 0.57 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | KLF10 | Q13118 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14220262 | 1.00 | ADRB2 (0.57) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL10450797 | 1.00 | ADRB2 (0.57) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL10215349 | 0.86 | ADRB2 (0.54) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL1145899 | 0.81 | ADRB2 (0.54) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL112701 | 0.81 | PKM (0.61) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL14291852 | 0.81 | ADRB2 (0.62) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL19236388 | 0.81 | ADRB2 (0.62) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL4122824 | 0.80 | ADRB2 (0.71) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL14622394 | 0.80 | ADRB2 (0.54) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL2579612 | 0.79 | ADRB2 (0.50) | 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 |
|---|---|---|---|---|---|---|---|
| EP-3556435-B1 | CLASS OF BIFUNCTIONAL COMPOUNDS WITH QUATERNARY AMMONIUM SALT STRUCTURE | BEIJING SHOWBY PHARMACEUTICAL CO LTD (CN) | 2020-10-28 | — | — | EP | disclosed |