Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 5/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9769415 | 1.00 | ADRB2 (0.35) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL9769411 | 0.90 | ADRB3 (0.43) | ADRB2ADRB1ADRB3 | |
| SCHEMBL9769407 | 0.90 | ADRB3 (0.43) | ADRB2ADRB1ADRB3 | |
| SCHEMBL9769278 | 0.88 | ADRB2 (0.43) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL9769270 | 0.88 | ADRB2 (0.43) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL9769354 | 0.88 | ADRB3 (0.34) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL10442272 | 0.84 | ADRB2 (0.42) | ADRB2ADRB1CYP2D6TSHRNFKB1 | |
| SCHEMBL10442270 | 0.84 | ADRB2 (0.42) | ADRB2ADRB1CYP2D6TSHRNFKB1 | |
| SCHEMBL10800431 | 0.83 | ADRB2 (0.41) | ADRB2ADRB1ADRB3 | |
| SCHEMBL9769232 | 0.83 | ADRB2 (0.33) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5019578-A | β-adrenergic agonists | MERCK & CO., INC. (US) | 1991-05-28 | — | — | US | disclosed |
| EP-0318092-A2 | Novel beta-adrenergic agonists | MERCK & CO. INC. (US) | 1989-05-31 | — | — | EP | disclosed |