Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 14/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11027506 | 0.98 | ADRB2 (0.61) | ADRB2KDM4ECYP1A2CYP3A4TSHR | |
| Hydrochloric Acid SCHEMBL11042917 | 0.96 | ADRB2 (0.61) | ADRB2KDM4ECYP1A2CYP3A4TSHR | |
| SCHEMBL11639398 | 0.95 | ADRB2 (0.57) | ADRB2KDM4ECYP1A2CYP3A4TSHR | |
| SCHEMBL11640814 | 0.91 | ADRB2 (0.51) | ADRB2KDM4ECYP1A2CYP3A4TSHR | |
| SCHEMBL11644150 | 0.89 | ADRB2 (0.48) | ADRB2KDM4ECYP1A2CYP3A4TSHR | |
| SCHEMBL11642580 | 0.85 | ADRB2 (0.50) | ADRB2KDM4ECYP1A2CYP3A4TSHR | |
| SCHEMBL11026545 | 0.85 | ADRB2 (0.46) | ADRB2KDM4ECYP1A2CYP3A4TSHR | |
| Hydrochloric Acid SCHEMBL11643322 | 0.84 | ADRB2 (0.45) | ADRB2KDM4ECYP1A2CYP3A4TSHR | |
| Hydrochloric Acid SCHEMBL10882343 | 0.84 | ADRB2 (0.47) | ADRB2KDM4ECYP1A2CYP3A4TSHR | |
| SCHEMBL11026386 | 0.83 | ADRB2 (0.44) | ADRB2KDM4ECYP1A2CYP3A4TSHR |
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-4119710-A | ANALGESICS, UTEROSPASMOLYTICS, ANTISPASTICS, BLOCKING AGENTS | BOEHRINGER INGELHEIM GMBH (DE) | 1978-10-10 | — | — | US | disclosed |