Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.37 |
| ▸ | FOS | P01100 | 3/20 | 0.37 |
| ▸ | JUN | P05412 | 3/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.37 |
| ▸ | RELA | Q04206 | 3/20 | 0.37 |
| ▸ | PPOX | P50336 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21723192 | 0.86 | JMJD6 (0.40) | ALDH1A1MAPTHTTJMJD6FOS | |
| SCHEMBL21723244 | 0.73 | JMJD6 (0.41) | ALDH1A1MAPTHTTJMJD6KDM4E | |
| SCHEMBL21723198 | 0.71 | TTR (0.42) | ALDH1A1HTTKDM4ESMN1; SMN2GAA | |
| SCHEMBL21723595 | 0.70 | KDM4E (0.36) | ALDH1A1MAPTHTTJMJD6NFKB1 | |
| SCHEMBL21723252 | 0.69 | JMJD6 (0.39) | ALDH1A1MAPTHTTJMJD6ALOX15 | |
| SCHEMBL21723214 | 0.69 | JMJD6 (0.39) | ALDH1A1MAPTHTTJMJD6KDM4E | |
| SCHEMBL21723237 | 0.69 | TTR (0.41) | ALDH1A1HTTKDM4ESMN1; SMN2GAA | |
| SCHEMBL21723234 | 0.68 | TTR (0.38) | ALDH1A1HTTKDM4EKMT2ATSHR | |
| SCHEMBL21723183 | 0.67 | DHODH (0.33) | P2RX7 | |
| SCHEMBL8133633 | 0.67 | TSHR (0.52) | ALDH1A1MAPTHTTJMJD6KDM4E |
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-2020036133-A1 | 3-(1H-1,2,4-TRIAZOLE-1-YL) BENZOIC ACID AMIDE DERIVATIVE AND HARMFUL ORGANISM CONTROL AGENT | クミアイ化学工業株式会社 | 2020-02-20 | — | — | WO | disclosed |