Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | MMP2 | P08253 | 2/20 | 0.44 |
| ▸ | GMNN | O75496 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28429237 | 0.77 | CYP1A2 (0.59) | ALDH1A1CYP3A4GAACYP1A2HPGD | |
| SCHEMBL30615583 | 0.75 | GABRP (0.53) | ALDH1A1CYP3A4GAACYP1A2HPGD | |
| SCHEMBL7102988 | 0.74 | KAT2B (0.46) | ALDH1A1GAAKDM4ESMN1; SMN2HTT | |
| SCHEMBL12792278 | 0.74 | MAPT (0.52) | ALDH1A1CYP3A4GAACYP1A2HPGD | |
| SCHEMBL12792175 | 0.74 | CYP3A4 (0.49) | ALDH1A1CYP3A4GAACYP1A2HPGD | |
| SCHEMBL12792382 | 0.73 | CYP3A4 (0.48) | ALDH1A1CYP3A4GAACYP1A2HPGD | |
| SCHEMBL9270290 | 0.72 | POLB (0.50) | ALDH1A1GAAMAPTKDM4EMEN1 | |
| SCHEMBL29009659 | 0.72 | CA12 (0.47) | ALDH1A1CYP1A2HPGDCYP2C19MAPT | |
| SCHEMBL17505155 | 0.72 | CA12 (0.47) | ALDH1A1CYP3A4GAAHPGDMAPT | |
| SCHEMBL9263233 | 0.72 | SCN9A (0.51) | ALDH1A1HPGDMAPTKDM4EMEN1 |
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-2023109909-A1 | AROMATIC HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND USES THEREOF | 上海翊石医药科技有限公司 | 2023-06-22 | — | — | WO | disclosed |