Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | CPB1 | P15086 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | TLR4 | O00206 | 1/20 | 0.46 |
| ▸ | NAAA | Q02083 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL26986433 | 0.89 | ALDH1A1 (0.67) | ALDH1A1GAACPB1TSHRCYP1A2 | |
| SCHEMBL12525124 | 0.87 | ALDH1A1 (0.64) | ALDH1A1GAACPB1TSHRCYP2C9 | |
| SCHEMBL13275989 | 0.87 | ALDH1A1 (0.64) | ALDH1A1GAACPB1TSHRCYP2C9 | |
| SCHEMBL1006562 | 0.86 | ALDH1A1 (0.65) | ALDH1A1GAACPB1TSHREPHX1 | |
| SCHEMBL21909362 | 0.85 | ALDH1A1 (0.53) | ALDH1A1GAACPB1TSHREPHX1 | |
| SCHEMBL25674801 | 0.85 | ALDH1A1 (0.58) | ALDH1A1GAACPB1TSHREPHX1 | |
| Hydrochloric Acid SCHEMBL25328114 | 0.84 | ALDH1A1 (0.63) | ALDH1A1GAACPB1TSHREPHX1 | |
| SCHEMBL489210 | 0.83 | CPB1 (0.55) | ALDH1A1GAACPB1TSHRCYP2C9 | |
| SCHEMBL12583744 | 0.83 | CPB1 (0.55) | ALDH1A1GAACPB1TSHRCYP2C9 | |
| SCHEMBL30858715 | 0.83 | CPB1 (0.55) | ALDH1A1GAACPB1TSHRCYP2C9 |
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-4551218-A2 | POTENT AND SELECTIVE IRREVERSIBLE INHIBITORS OF IRAK1 | Dana-Farber Cancer Institute, Inc. (US) | 2025-05-14 | — | — | EP | disclosed |
| WO-2024011116-A2 | POTENT AND SELECTIVE IRREVERSIBLE INHIBITORS OF IRAK1 | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2024-01-11 | — | — | WO | disclosed |