Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.59 |
| ▸ | GAA | P10253 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.56 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | EGFR | P00533 | 3/20 | 0.53 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | CCKAR | P32238 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | PYGL | P06737 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | FLT3 | P36888 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL23722653 | 0.89 | DRD2 (0.61) | DRD2GAALMNATAS1R3TAS1R1 | |
| SCHEMBL24380184 | 0.89 | DRD2 (0.61) | DRD2GAALMNATAS1R3TAS1R1 | |
| SCHEMBL13753384 | 0.83 | DRD2 (0.68) | DRD2GAALMNATAS1R3TAS1R1 | |
| SCHEMBL29949076 | 0.83 | DRD2 (0.68) | DRD2GAALMNATAS1R3TAS1R1 | |
| SCHEMBL13753482 | 0.80 | DRD2 (0.64) | DRD2GAALMNATAS1R3TAS1R1 | |
| SCHEMBL8670229 | 0.79 | CCKAR (0.77) | DRD2GAALMNATAS1R3TAS1R1 | |
| SCHEMBL8670236 | 0.79 | CCKAR (0.77) | DRD2GAALMNATAS1R3TAS1R1 | |
| SCHEMBL17149611 | 0.79 | EGFR (0.57) | DRD2TAS1R3TAS1R1EGFRPIK3CA | |
| SCHEMBL6883379 | 0.78 | MEN1 (0.64) | DRD2GAALMNATAS1R3TAS1R1 | |
| SCHEMBL19476076 | 0.78 | DRD2 (0.69) | DRD2GAALMNATAS1R3TAS1R1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4098653-A1 | PHARMACEUTICAL USE OF ALDEHYDE-BASED COMPOUND | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2022-12-07 | — | — | EP | disclosed |
| WO-2021151265-A1 | PHARMACEUTICAL USE OF ALDEHYDE-BASED COMPOUND | 中国科学院上海药物研究所 | 2021-08-05 | — | — | WO | disclosed |