Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | HRH2 | P25021 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL929740 | 0.86 | POLB (0.41) | POLBOPRM1LMNAHSD17B10MEN1 | |
| SCHEMBL15315362 | 0.83 | POLB (0.39) | POLBOPRM1LMNAMEN1KMT2A | |
| SCHEMBL13537600 | 0.83 | POLB (0.39) | POLBOPRM1LMNAMEN1KMT2A | |
| SCHEMBL3013487 | 0.83 | POLB (0.39) | POLBOPRM1LMNAMEN1KMT2A | |
| SCHEMBL31169884 | 0.81 | NPSR1 (0.32) | NPSR1MAPT | |
| SCHEMBL12571557 | 0.78 | CYP2D6 (0.42) | OPRM1CYP3A4ABCB11LMNACYP1A2 | |
| SCHEMBL30707237 | 0.77 | SLC6A2 (0.37) | POLBOPRM1CYP3A4ABCB11LMNA | |
| SCHEMBL12571554 | 0.77 | CYP2D6 (0.44) | OPRM1CYP3A4ABCB11LMNACYP1A2 | |
| Hydrochloric Acid SCHEMBL2012351 | 0.77 | CYP3A4 (0.43) | OPRM1CYP3A4ABCB11LMNACYP1A2 | |
| SCHEMBL3798218 | 0.77 | LMNA (0.44) | CYP3A4ABCB11LMNACYP1A2CHRM2 |
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-2015165341-A1 | ISOQUINOLINESULFONYL DERIVATIVE AS RHO KINASE INHIBITOR | 南京明德新药研发股份有限公司 | 2015-11-05 | — | — | WO | disclosed |