Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 3/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 2/20 | 0.36 |
| ▸ | ALB | P02768 | 1/20 | 0.36 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.36 |
| ▸ | EDNRA | P25101 | 1/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9264763 | 0.98 | EPHX1 (0.42) | EPHX1HDAC4ALDH1A1GAATSHR | |
| SCHEMBL8746349 | 0.82 | CES2 (0.40) | EPHX1HDAC4ALDH1A1CES2CES1 | |
| SCHEMBL8550483 | 0.79 | EPHX1 (0.41) | EPHX1ALDH1A1KDM4ECES2CES1 | |
| SCHEMBL28651310 | 0.78 | EPHX1 (0.41) | EPHX1HDAC4ALDH1A1GAAKDM1A | |
| SCHEMBL28638160 | 0.78 | PTGS2 (0.44) | EPHX1ALDH1A1GAATSHRKDM4E | |
| SCHEMBL7777417 | 0.77 | RXFP1 (0.40) | EPHX1HDAC4ALDH1A1GAATSHR | |
| SCHEMBL3835893 | 0.77 | RXFP1 (0.40) | EPHX1HDAC4ALDH1A1GAATSHR | |
| SCHEMBL8746359 | 0.77 | EPHX1 (0.41) | EPHX1CES2CES1KDM1AKDM1B | |
| SCHEMBL3835889 | 0.77 | RXFP1 (0.40) | EPHX1HDAC4ALDH1A1GAATSHR | |
| SCHEMBL30349456 | 0.77 | ALDH1A1 (0.43) | HDAC4ALDH1A1GAATSHRKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-107892666-B | 5-phenylpyrrole derivative and preparation method and application thereof | 吉林医药学院 | 2021-10-15 | — | — | CN | disclosed |