Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 8/20 | 0.42 |
| ▸ | CA2 | P00918 | 8/20 | 0.42 |
| ▸ | CA12 | O43570 | 5/20 | 0.42 |
| ▸ | CA3 | P07451 | 5/20 | 0.42 |
| ▸ | CA4 | P22748 | 5/20 | 0.42 |
| ▸ | CA6 | P23280 | 5/20 | 0.42 |
| ▸ | CA7 | P43166 | 5/20 | 0.42 |
| ▸ | CA9 | Q16790 | 5/20 | 0.42 |
| ▸ | CA13 | Q8N1Q1 | 5/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 5/20 | 0.42 |
| ▸ | CA5A | P35218 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11534367 | 0.90 | KDM4E (0.39) | CA1CA2CA12CA3CA4 | |
| SCHEMBL11473425 | 0.89 | ADRB2 (0.42) | CA1CA2CA12CA3CA4 | |
| SCHEMBL11480722 | 0.80 | ADRB2 (0.49) | CA1CA2CA12CA9CA14 | |
| SCHEMBL11471623 | 0.78 | ADRA1A (0.61) | CA1CA2CA12CA3CA4 | |
| SCHEMBL11349295 | 0.78 | ADRB1 (0.63) | CYP2D6ADRB2ADRB1ADRA2AADRA1D | |
| SCHEMBL11354288 | 0.78 | ADRB1 (0.63) | CYP2D6ADRB2ADRB1ADRA2AADRA1D | |
| Hydrochloric Acid SCHEMBL4945025 | 0.78 | ADRB1 (0.46) | CA1CA2CA12CA3CA4 | |
| Hydrochloric Acid SCHEMBL11357232 | 0.77 | ADRB1 (0.64) | CYP2D6ADRB2ADRB1ADRA2AADRA1D | |
| SCHEMBL10822418 | 0.73 | EPHX2 (0.47) | CA1CA2CA12CA4CA6 | |
| SCHEMBL10822414 | 0.73 | EPHX2 (0.47) | CA1CA2CA12CA4CA6 |
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-4140713-A | Phenylethanolamine therapeutic agents | ALLEN & HANBURYS LIMITED (GB) | 1979-02-20 | — | — | US | disclosed |