Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 3/20 | 0.45 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6002215 | 1.00 | OPRL1 (0.45) | OPRL1HTR6DPP4CHRNA7MEN1 | |
| SCHEMBL7814997 | 0.94 | CHRNA7 (0.43) | OPRL1HTR6DPP4CHRNA7CHRM2 | |
| SCHEMBL31011763 | 0.81 | HTR6 (0.62) | OPRL1HTR6DPP4CHRNA7ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6421115 | 0.80 | HTR6 (0.60) | OPRL1HTR6DPP4CHRNA7ALDH1A1 | |
| SCHEMBL6410570 | 0.80 | ALDH1A1 (0.42) | HTR6MEN1ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL7832801 | 0.79 | OPRL1 (0.40) | OPRL1HTR6DPP4CHRNA7HTR2B | |
| SCHEMBL7824788 | 0.77 | HTR6 (0.57) | OPRL1HTR6DPP4CHRNA7KMT2A | |
| SCHEMBL7837293 | 0.77 | HTR6 (0.57) | OPRL1HTR6DPP4CHRNA7KMT2A | |
| SCHEMBL6422733 | 0.76 | GPR119 (0.46) | OPRL1DPP4ALDH1A1CHRM2CHRM1 | |
| SCHEMBL7827208 | 0.74 | HCRTR1 (0.54) | OPRL1ALDH1A1KMT2AADRA2BADRA2C |
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-2022149855-A1 | HETEROARYL-ETHYNYL DERIVATIVE COMPOUND AND USE THEREOF | 주식회사 비투에스바이오 | 2022-07-14 | — | — | WO | disclosed |