Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SYK | P43405 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23795318 | 1.00 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP2C19MAPTCASP1 | |
| SCHEMBL8271649 | 0.78 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP2C19MAPTCASP1 | |
| SCHEMBL8271643 | 0.78 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP2C19MAPTCASP1 | |
| SCHEMBL8272299 | 0.77 | ALDH1A1 (0.45) | ALDH1A1CYP1A2CYP2C19MAPTESR1 | |
| SCHEMBL1239659 | 0.76 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP2C19MAPTCASP1 | |
| SCHEMBL8272616 | 0.76 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP2C19MAPTCASP1 | |
| SCHEMBL999151 | 0.76 | ALDH1A1 (0.33) | ALDH1A1CYP1A2CYP2C19ESR1SYK | |
| SCHEMBL22094077 | 0.76 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C19MAPTCASP1 | |
| SCHEMBL21872083 | 0.74 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C19MAPTCASP1 | |
| SCHEMBL22094445 | 0.73 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2C19MAPTCASP1 |
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-4739672-A1 | NEW COMPOUNDS | Aston University (GB) | 2026-05-13 | — | — | EP | disclosed |
| WO-2025008626-A1 | NEW COMPOUNDS | ASTON UNIVERSITY (GB) | 2025-01-09 | — | — | WO | disclosed |