Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL22897508 | 0.91 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2HTTPDK1PDK2 | |
| SCHEMBL29559840 | 0.91 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2HTTPDK1PDK2 | |
| SCHEMBL22897926 | 0.90 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2HTTPDK1PDK2 | |
| SCHEMBL22897748 | 0.88 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2HTTKDM4ENPC1 | |
| SCHEMBL28679416 | 0.84 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2HTTPDK1PDK2 | |
| SCHEMBL22897662 | 0.83 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2HTTKDM4ENPC1 | |
| SCHEMBL22897913 | 0.82 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2HTTKDM4ENPC1 | |
| SCHEMBL22897843 | 0.81 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2HTTKDM4ENPC1 | |
| SCHEMBL28694139 | 0.81 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2HTTKDM4ENPC1 | |
| SCHEMBL22897990 | 0.81 | SMN1; SMN2 (0.46) | ALDH1A1SMN1; SMN2HTTMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-114072000-A | Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto | 科迪华农业科技有限责任公司 | 2022-02-18 | — | — | CN | disclosed |
| WO-2021011722-A1 | MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2021-01-21 | — | — | WO | disclosed |