Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 17/20 | 0.61 |
| ▸ | CASP3 | P42574 | 1/20 | 0.61 |
| ▸ | CASP6 | P55212 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.60 |
| ▸ | TSHR | P16473 | 3/20 | 0.60 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | ADRB1 | P08588 | 6/20 | 0.58 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.58 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.58 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.58 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.58 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL3824204 | 0.89 | ADRB2 (0.64) | ADRB2CASP3CASP6CYP3A4MAPK1 | |
| SCHEMBL2672487 | 0.89 | ADRB2 (0.67) | ADRB2CASP3CASP6CYP3A4MAPK1 | |
| SCHEMBL20420611 | 0.89 | ADRB2 (0.64) | ADRB2CASP3CASP6CYP3A4MAPK1 | |
| SCHEMBL10005269 | 0.87 | ADRB2 (0.62) | ADRB2CASP3CASP6CYP3A4MAPK1 | |
| SCHEMBL10419496 | 0.87 | CYP3A4 (0.61) | ADRB2CASP3CASP6CYP3A4MAPK1 | |
| SCHEMBL11819613 | 0.86 | ADRB2 (0.56) | ADRB2CASP3CASP6CYP3A4MAPK1 | |
| SCHEMBL11823870 | 0.84 | ADRB3 (0.63) | ADRB2CYP3A4MAPK1CYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL11823842 | 0.83 | TSHR (0.62) | ADRB2CYP3A4MAPK1CYP2D6TSHR | |
| SCHEMBL4430362 | 0.82 | ADRB2 (0.80) | ADRB2CASP3CASP6CYP3A4MAPK1 | |
| SCHEMBL13897129 | 0.81 | CYP3A4 (0.59) | ADRB2CASP3CASP6CYP3A4MAPK1 |
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-3994974-A | BRONCHODILATORS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) | 1976-11-30 | — | — | US | disclosed |