Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.63 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.59 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.59 |
| ▸ | HTR1A | P08908 | 1/20 | 0.59 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.59 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.59 |
| ▸ | DRD1 | P21728 | 1/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.59 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.59 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.59 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.59 |
| ▸ | DRD3 | P35462 | 1/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.59 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.54 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL8828024 | 0.93 | CHRM2 (0.67) | SIGMAR1KCNH2CHRM2HTR1AADRA2A | |
| SCHEMBL4974601 | 0.91 | HDAC3 (0.61) | SIGMAR1KCNH2CHRM2HTR1AADRA2A | |
| SCHEMBL6706300 | 0.89 | KCNH2 (0.66) | SIGMAR1KCNH2CHRM2HTR1AADRA2A | |
| SCHEMBL11673147 | 0.89 | HDAC3 (0.62) | SIGMAR1KCNH2CHRM2HTR1AADRA2A | |
| SCHEMBL10662405 | 0.86 | SIGMAR1 (0.69) | SIGMAR1KCNH2CHRM2HTR1AADRA2A | |
| SCHEMBL11699577 | 0.86 | SIGMAR1 (0.69) | SIGMAR1KCNH2CHRM2HTR1AADRA2A | |
| SCHEMBL11795941 | 0.86 | HDAC3 (0.56) | SIGMAR1KCNH2CHRM2HTR1AADRA2A | |
| SCHEMBL231061 | 0.84 | OPRK1 (0.63) | SIGMAR1KCNH2CHRM2HTR1AADRA2A | |
| SCHEMBL16226366 | 0.83 | KCNH2 (0.55) | SIGMAR1KCNH2CHRM2HTR1AADRA2A | |
| SCHEMBL12049809 | 0.82 | OPRK1 (0.61) | OPRM1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104910103-A | Preparation method of darunavir intermediate | SHANGHAI INST TECHNOLOGY | 2015-09-16 | — | — | CN | claimed |
| CN-104910103-A | Preparation method of darunavir intermediate | SHANGHAI INST TECHNOLOGY | 2015-09-16 | — | — | CN | disclosed |