Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | RAD52 | P43351 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.44 |
| ▸ | PTK2B | Q14289 | 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 | |
|---|---|---|---|---|
| SCHEMBL30430039 | 1.00 | ALDH1A1 (0.54) | ALDH1A1CYP3A4CYP1A2CYP2C19HTT | |
| SCHEMBL17774681 | 0.89 | ALDH1A1 (0.64) | ALDH1A1CYP3A4CYP1A2CYP2C19HTT | |
| SCHEMBL17774648 | 0.88 | ALDH1A1 (0.66) | ALDH1A1CYP3A4CYP1A2CYP2C19HTT | |
| SCHEMBL17774683 | 0.83 | ALDH1A1 (0.57) | ALDH1A1CYP3A4CYP1A2CYP2C19HTT | |
| SCHEMBL30429497 | 0.79 | ALDH1A1 (0.80) | ALDH1A1CYP3A4CYP1A2CYP2C19HTT | |
| SCHEMBL26134002 | 0.79 | ALDH1A1 (0.80) | ALDH1A1CYP3A4CYP1A2CYP2C19HTT | |
| SCHEMBL17774650 | 0.78 | ALDH1A1 (0.59) | ALDH1A1CYP3A4CYP1A2CYP2C19HTT | |
| SCHEMBL17774600 | 0.77 | ALDH1A1 (0.62) | ALDH1A1CYP3A4CYP1A2CYP2C19HTT | |
| SCHEMBL17774655 | 0.77 | ALDH1A1 (0.62) | ALDH1A1CYP3A4CYP1A2CYP2C19HTT | |
| SCHEMBL17774653 | 0.77 | ALDH1A1 (0.62) | ALDH1A1CYP3A4CYP1A2CYP2C19HTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4423090-A2 | ANTAGONISTS OF GPR39 PROTEIN | Vasocardea, Inc. (US) | 2024-09-04 | — | — | EP | disclosed |
| WO-2023076219-A2 | ANTAGONISTS OF GPR39 PROTEIN | VASOCARDEA, INC. (US) | 2023-05-04 | — | — | WO | disclosed |
| WO-2023076219-A2 | ANTAGONISTS OF GPR39 PROTEIN | VASOCARDEA, INC. (US) | 2023-05-04 | — | — | WO | disclosed |