Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.37 |
| ▸ | THRA | P10827 | 3/20 | 0.37 |
| ▸ | THRB | P10828 | 3/20 | 0.37 |
| ▸ | VDR | P11473 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.33 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.32 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29561041 | 1.00 | ALDH1A1 (0.38) | ALDH1A1CYP2D6HCAR3THRATHRB | |
| SCHEMBL22897646 | 0.91 | ALDH1A1 (0.39) | ALDH1A1CYP2D6HCAR3THRBMAPT | |
| SCHEMBL22897618 | 0.83 | HPD (0.35) | ALDH1A1HCAR3THRATHRBVDR | |
| SCHEMBL29559286 | 0.83 | HPD (0.35) | ALDH1A1HCAR3THRATHRBVDR | |
| SCHEMBL2551511 | 0.77 | MLYCD (0.38) | ALDH1A1MAPTCYP3A4SMN1; SMN2SSTR4 | |
| SCHEMBL25877847 | 0.76 | ALDH1A1 (0.39) | ALDH1A1HCAR3THRBMAPTGAA | |
| SCHEMBL77393 | 0.76 | ADRB2 (0.43) | ALDH1A1MAPTGAATDP1CYP3A4 | |
| SCHEMBL22897851 | 0.76 | TDP1 (0.49) | ALDH1A1CYP2D6HCAR3MAPTTDP1 | |
| SCHEMBL29560800 | 0.76 | TDP1 (0.49) | ALDH1A1CYP2D6HCAR3MAPTTDP1 | |
| SCHEMBL1097539 | 0.75 | F2 (0.36) | ALDH1A1THRATHRBVDRMAPT |
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-2021011722-A1 | MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2021-01-21 | — | — | WO | disclosed |