Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1B | P49286 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 10/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | HTR1F | P30939 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.38 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.37 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.37 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.37 |
| ▸ | NCSTN | Q92542 | 3/20 | 0.37 |
| ▸ | APH1A | Q96BI3 | 3/20 | 0.37 |
| ▸ | PSENEN | Q9NZ42 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4543865 | 0.86 | MTNR1B (0.47) | MTNR1BHTR6SRCHTR1ADRD2 | |
| SCHEMBL4540819 | 0.81 | MTNR1B (0.45) | MTNR1BHTR6SRCHTR1ADRD2 | |
| SCHEMBL597369 | 0.80 | HTR6 (0.46) | HTR6SRCCA12CA2CA9 | |
| SCHEMBL30644289 | 0.80 | HTR6 (0.46) | HTR6SRCCA12CA2CA9 | |
| SCHEMBL31304851 | 0.79 | HTR6 (0.44) | HTR6SRCCA12CA2CA9 | |
| SCHEMBL16812952 | 0.77 | HTR6 (0.48) | MTNR1BHTR6SRCHTR1ADRD2 | |
| SCHEMBL25176785 | 0.76 | RAPGEF4 (0.50) | MTNR1BHTR6AGTR1PSEN1PSEN2 | |
| SCHEMBL4859176 | 0.76 | HTR6 (0.41) | MTNR1BHTR6SRCCA12CA2 | |
| SCHEMBL2431470 | 0.76 | HTR6 (0.50) | HTR6SRCAGTR1PSEN1PSEN2 | |
| SCHEMBL4852200 | 0.75 | HTR6 (0.49) | MTNR1BHTR6SRCHTR1ADRD2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105814035-B | Bruton's tyrosine kinase inhibitor | 豪夫迈·罗氏有限公司 | 2018-02-02 | — | — | CN | disclosed |