Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 2/20 | 0.37 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.37 |
| ▸ | CDC7 | O00311 | 1/20 | 0.37 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 8/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4809317 | 0.89 | ABCB11 (0.38) | ABCB11CDC7DBF4CNR1ADRB3 | |
| SCHEMBL14107173 | 0.87 | ABCB11 (0.41) | ABCB11CNR1ADRB3GABRA1ADRA2B | |
| SCHEMBL14107166 | 0.80 | CRHR1 (0.40) | DPP4DPP8CNR1MAPTKDM4E | |
| SCHEMBL14107165 | 0.79 | CYP3A4 (0.35) | CNR1CNR2MAPTKMT2AKDM4E | |
| SCHEMBL4804664 | 0.76 | CNR1 (0.44) | CNR1ADRB3GABRA1ADRA2BADRA2C | |
| SCHEMBL4808908 | 0.75 | CNR1 (0.42) | CNR1ADRB3GABRA1ADRA2BADRA2C | |
| SCHEMBL4810834 | 0.75 | PTGS2 (0.42) | DPP4CNR1ADRB3GABRA1ADRA2B | |
| SCHEMBL4801796 | 0.73 | CRHR1 (0.42) | DPP4CNR1CNR2KDM4ECRHR1 | |
| SCHEMBL4809956 | 0.71 | TDP1 (0.39) | ABCB11CNR1CNR2MAPTKMT2A | |
| SCHEMBL4809390 | 0.71 | CNR1 (0.43) | CNR1ADRB3GABRA1ADRA2BADRA2C |
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-7405221-B2 | Substituted pyrimidines | MERCK & CO., INC. (US) | 2008-07-29 | — | — | US | disclosed |