Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12548100 | 0.86 | CHRNB2 (0.52) | CHRNB2CHRNA4CYP11B1CYP11B2GABRA1 | |
| SCHEMBL8149064 | 0.80 | SLC6A4 (0.51) | CHRNB2CHRNA4TDP1CYP11B1CYP11B2 | |
| SCHEMBL212818 | 0.77 | — | — | |
| SCHEMBL30335585 | 0.77 | — | — | |
| SCHEMBL21649535 | 0.77 | SLC6A4 (0.37) | CHRNB2CHRNA4TDP1HTTCYP11B1 | |
| SCHEMBL9138822 | 0.75 | — | — | |
| SCHEMBL19291370 | 0.75 | MAPT (0.44) | CHRNB2CHRNA4MAPTKDM4EALDH1A1 | |
| SCHEMBL17772009 | 0.74 | CYP2E1 (0.45) | TDP1HTTL3MBTL1CYP11B1CYP11B2 | |
| SCHEMBL27510425 | 0.72 | CYP11B1 (0.41) | TDP1HTTCYP11B1CYP11B2GABRA1 | |
| SCHEMBL12326924 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3929198-A1 | HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF | Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) | 2021-12-29 | — | — | EP | disclosed |