Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9812923 | 0.89 | ALDH1A1 (0.37) | ALDH1A1EGFRHPGDMAPTTTR | |
| SCHEMBL6229323 | 0.85 | TTR (0.52) | ALDH1A1MAPK1AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL2674701 | 0.85 | CYP1A2 (0.51) | ALDH1A1MAPK1AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL10882023 | 0.85 | ALDH1A1 (0.38) | ALDH1A1CYP1A2CYP2D6HPGDCYP2C19 | |
| SCHEMBL4641337 | 0.82 | MAPT (0.55) | ALDH1A1MAPK1EGFRCYP1A2CYP2D6 | |
| SCHEMBL1353027 | 0.80 | PTGS2 (0.49) | ALDH1A1EGFRPTPN1GSK3BBACE1 | |
| SCHEMBL9490431 | 0.80 | BCAT2 (0.44) | ALDH1A1MAPK1EGFRPTPN1BACE1 | |
| SCHEMBL6207095 | 0.80 | SRD5A2 (0.50) | ALDH1A1EGFR | |
| SCHEMBL8490253 | 0.79 | GSK3B (0.47) | ALDH1A1MAPK1AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL25365029 | 0.79 | ADAMTS4 (0.48) | ALDH1A1MAPK1AKR1C3AKR1C2AKR1C1 |
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-2023288253-A1 | SMALL MOLECULES INHIBITORS OF CYCLIC GMP-AMP SYNTHASE (CGAS) | THE SCRIPPS RESEARCH INSTITUTE (US) | 2023-01-19 | — | — | WO | disclosed |