Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 8/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 6/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MGAM | O43451 | 2/20 | 0.33 |
| ▸ | SI | P14410 | 2/20 | 0.33 |
| ▸ | ABL1 | P00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL9769152 | 1.00 | ADRB3 (0.39) | ADRB3ADRB1ADRB2BCHEKDM4E | |
| Hydrochloric Acid SCHEMBL9769360 | 0.83 | ADRB2 (0.48) | ADRB3ADRB1ADRB2BCHEKDM4E | |
| Hydrochloric Acid SCHEMBL9769249 | 0.81 | BCHE (0.47) | ADRB3ADRB1ADRB2BCHEKDM4E | |
| Hydrochloric Acid SCHEMBL9769239 | 0.81 | BCHE (0.47) | ADRB3ADRB1ADRB2BCHEKDM4E | |
| Hydrochloric Acid SCHEMBL9769389 | 0.81 | BCHE (0.50) | ADRB3ADRB1ADRB2BCHEKDM4E | |
| Hydrochloric Acid SCHEMBL9769442 | 0.76 | ADRB3 (0.37) | ADRB3ADRB1ADRB2KDM4E | |
| Hydrochloric Acid SCHEMBL9769456 | 0.76 | ADRB3 (0.37) | ADRB3ADRB1ADRB2KDM4E | |
| Hydrochloric Acid SCHEMBL9769430 | 0.74 | ADRB3 (0.36) | ADRB3ADRB1ADRB2KDM4EABL1 | |
| Hydrochloric Acid SCHEMBL10584803 | 0.74 | ADRB3 (0.36) | ADRB3ADRB1ADRB2KDM4EABL1 | |
| Hydrochloric Acid SCHEMBL9769154 | 0.74 | ADRB3 (0.36) | ADRB3ADRB1ADRB2KDM4EABL1 |
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 |