Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10069563 | 0.87 | ADRB2 (0.47) | ADRB2ADRB1ADRB3ALDH1A1POLB | |
| SCHEMBL1568650 | 0.83 | ADRB2 (0.54) | ADRB2ADRB1ADRB3ALDH1A1GAA | |
| SCHEMBL10069574 | 0.83 | PTGER4 (0.45) | ADRB2ADRB1ADRB3POLBGFER | |
| SCHEMBL10068535 | 0.83 | CA12 (0.49) | ADRB2ADRB1ADRB3CA1CA2 | |
| SCHEMBL10069315 | 0.81 | ADRB1 (0.43) | ADRB2ADRB1ADRB3ALDH1A1CA1 | |
| SCHEMBL10069566 | 0.81 | ADRB1 (0.45) | ADRB2ADRB1ADRB3POLBGFER | |
| SCHEMBL10068713 | 0.80 | ADRB3 (0.49) | ADRB2ADRB1ADRB3PPARASLC6A3 | |
| SCHEMBL8993085 | 0.79 | ADRB3 (0.50) | ADRB2ADRB1ADRB3ALDH1A1CA1 | |
| SCHEMBL10069036 | 0.78 | HTT (0.38) | ADORA3ADORA2AADORA2BADORA1ADRB2 | |
| SCHEMBL10069336 | 0.78 | SLC6A3 (0.43) | ADRB2ADRB1ADRB3POLBGFER |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012019428-A1 | BENZOHYDROL DERIVATIVES, A PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF | 上海恒瑞医药有限公司 (CN) | 2012-02-16 | — | — | WO | disclosed |