Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.40 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 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 | |
|---|---|---|---|---|
| SCHEMBL29009189 | 0.86 | ESR1 (0.49) | MEN1KMT2A | |
| SCHEMBL29009159 | 0.85 | CNR2 (0.47) | ALDH1A1HTTGAACNR2NPSR1 | |
| SCHEMBL29009155 | 0.85 | CNR2 (0.45) | CYP2D6CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL4242518 | 0.84 | KMT2A (0.56) | ALDH1A1TSHRCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12209104 | 0.81 | POLB (0.46) | ALDH1A1HTTMAPTTSHRMAPK1 | |
| SCHEMBL8058375 | 0.78 | HDAC3 (0.42) | ALDH1A1HTTMAPTTSHRMAPK1 | |
| SCHEMBL27602372 | 0.78 | TSHR (0.44) | ALDH1A1HTTMAPTTSHRMAPK1 | |
| SCHEMBL29009204 | 0.77 | ROCK2 (0.46) | ALDH1A1HTTMAPTTSHRMAPK1 | |
| SCHEMBL12825100 | 0.77 | HDAC3 (0.43) | ALDH1A1HTTMAPTTSHRMAPK1 | |
| SCHEMBL4076538 | 0.77 | PDE2A (0.41) | ALDH1A1HTTMAPTTSHRMAPK1 |
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-116217458-A | 2-carbonyl-5-phenylpyrrole compound, preparation method, application and derivative thereof, and pharmaceutical composition | 湖北民族大学 | 2023-06-06 | — | — | CN | disclosed |