Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MITF | O75030 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL28678317 | 0.93 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2HTTRAB9AKDM4E | |
| SCHEMBL29559718 | 0.79 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2HTTRAB9AKDM4E | |
| SCHEMBL22897989 | 0.79 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2HTTRAB9AKDM4E | |
| SCHEMBL29559565 | 0.79 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2HTTRAB9AMEN1 | |
| SCHEMBL22897881 | 0.79 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2HTTRAB9AMEN1 | |
| SCHEMBL22897797 | 0.79 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2HTTRAB9AKDM4E | |
| SCHEMBL22897662 | 0.78 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2HTTRAB9AKDM4E | |
| SCHEMBL22897913 | 0.77 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2HTTRAB9AKDM4E | |
| SCHEMBL22897843 | 0.76 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2HTTRAB9AKDM4E | |
| SCHEMBL22897508 | 0.76 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2HTTRAB9AKDM4E |
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 |