Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.41 |
| ▸ | CYP3A5 | P20815 | 5/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CASR | P41180 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9251584 | 0.84 | CYP3A4 (0.41) | CYP3A4CYP3A5HDAC3HDAC1HDAC2 | |
| SCHEMBL29150146 | 0.81 | CYP3A4 (0.43) | CYP3A4CYP3A5HDAC3HDAC1HDAC2 | |
| SCHEMBL17186902 | 0.81 | CYP3A4 (0.45) | CYP3A4CYP3A5HDAC3HDAC1HDAC2 | |
| SCHEMBL22544183 | 0.81 | CYP3A4 (0.45) | CYP3A4CYP3A5HDAC3HDAC1HDAC2 | |
| SCHEMBL7943098 | 0.77 | CYP3A4 (0.36) | CYP3A4CYP3A5HDAC3HDAC1HDAC2 | |
| SCHEMBL1690351 | 0.77 | HDAC3 (0.42) | CYP3A4CYP3A5HDAC3HDAC1HDAC2 | |
| SCHEMBL1348538 | 0.76 | KCNH2 (0.49) | CYP3A4CYP3A5HDAC3HDAC1HDAC2 | |
| SCHEMBL8805047 | 0.76 | CYP3A4 (0.40) | CYP3A4CYP3A5HDAC3HDAC1HDAC2 | |
| SCHEMBL29149861 | 0.76 | CYP3A4 (0.38) | CYP3A4CYP3A5HDAC3HDAC1HDAC2 | |
| SCHEMBL24320669 | 0.75 | CYP3A4 (0.41) | CYP3A4CYP3A5HDAC3HDAC1HDAC2 |
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-2022228490-A1 | POLYCYCLIC DERIVATIVE MODULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翰森生物医药科技有限公司 | 2022-11-03 | — | — | WO | disclosed |