Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | ADRB2 | P07550 | 11/20 | 0.52 |
| ▸ | ADRB1 | P08588 | 7/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 6/20 | 0.51 |
| ▸ | HTR2B | P41595 | 2/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.51 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.50 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.50 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7310963 | 0.94 | MAPT (0.56) | MAPTADRB2ADRB1ALDH1A1HTR1A | |
| SCHEMBL7318229 | 0.88 | CASR (0.56) | ADRB2ADRB1ALDH1A1HTR1AHTR2B | |
| SCHEMBL7311964 | 0.86 | MAPT (0.57) | MAPTADRB2ADRB1HTR1AHTR2B | |
| SCHEMBL7312061 | 0.86 | ADRB2 (0.69) | ADRB2ADRB1HTR1AHTR2BCYP2D6 | |
| SCHEMBL7313353 | 0.84 | MAPT (0.55) | MAPTADRB2ADRB1HTR1AHTR2B | |
| SCHEMBL7318958 | 0.83 | ADRB2 (0.56) | ADRB2ADRB1ALDH1A1HTR1AHTR2B | |
| SCHEMBL11845793 | 0.83 | ALDH1A1 (0.74) | MAPTADRB2ADRB1ALDH1A1HTR1A | |
| SCHEMBL11201711 | 0.82 | ADRB2 (0.70) | MAPTADRB2ADRB1HTR1AHTR2B | |
| SCHEMBL7317233 | 0.82 | CASR (0.59) | ADRB2ADRB1ALDH1A1HTR1AHTR2B | |
| Hydrochloric Acid SCHEMBL11226416 | 0.82 | ALDH1A1 (0.73) | MAPTADRB2ADRB1ALDH1A1HTR1A |
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-4258062-A | ISOPRENALINE ANTAGONISTS EFFECTING HEART RATE AND BLOOD PRESSURE | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1981-03-24 | — | — | US | disclosed |
| US-4171370-A | Phenoxy-amino-propanols | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1979-10-16 | — | — | US | disclosed |