Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | PDE1A | P54750 | 1/20 | 0.34 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.34 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.34 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.33 |
| ▸ | CDK1 | P06493 | 2/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.33 |
| ▸ | GSK3A | P49840 | 2/20 | 0.33 |
| ▸ | GSK3B | P49841 | 2/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.33 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27156172 | 0.92 | ADRB2 (0.48) | ADRB2KDM4EPOLBPARP1TSHR | |
| SCHEMBL9847101 | 0.76 | ADRB2 (0.42) | ADRB2KDM4EPARP1RAB9ATSHR | |
| SCHEMBL13594653 | 0.74 | ADRB2 (0.52) | ADRB2KDM4EPARP1HTTPDE1A | |
| SCHEMBL353026 | 0.74 | CBFB (0.51) | ADRB2KDM4EPARP1RAB9AHTT | |
| SCHEMBL28193478 | 0.73 | CCNB2 (0.36) | ADRB2KDM4EPOLBTSHRHSD17B10 | |
| SCHEMBL29669401 | 0.72 | ADRB2 (0.49) | ADRB2PARP1HSD17B10HTTPDE1A | |
| SCHEMBL16653940 | 0.72 | ADRB2 (0.49) | ADRB2KDM4EPOLBNOS2PARP1 | |
| SCHEMBL21608573 | 0.71 | LMNA (0.48) | ADRB2KDM4EPOLBNOS2PARP1 | |
| SCHEMBL5989876 | 0.71 | ADRB2 (0.42) | ADRB2PARP1HSD17B10HTTPDE1A | |
| SCHEMBL3265280 | 0.71 | HTT (0.47) | ADRB2KDM4EPARP1RAB9ATSHR |
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-2011095057-A1 | BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | 山东轩竹医药科技有限公司 (CN) | 2011-08-11 | — | — | WO | disclosed |