Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | NCF1 | P14598 | 3/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5894508 | 0.73 | ALDH1A1 (0.39) | ALDH1A1MAPTHPGDGLAACHE | |
| SCHEMBL28921608 | 0.72 | ALDH1A1 (0.35) | ALDH1A1MAPTHPGDGLAACHE | |
| SCHEMBL28629290 | 0.70 | ALDH1A1 (0.33) | ALDH1A1MAPTHPGDGLAACHE | |
| SCHEMBL996754 | 0.68 | CA12 (0.41) | ALDH1A1MAPTHPGDGLAACHE | |
| SCHEMBL22124414 | 0.67 | ALDH1A1 (0.33) | ALDH1A1MAPTNPC1RAB9AHDAC8 | |
| SCHEMBL22144095 | 0.67 | MAPT (0.37) | ALDH1A1MAPTCYP1A2KDM4ELMNA | |
| SCHEMBL22144248 | 0.67 | NCF1 (0.36) | ALDH1A1MAPTACHENCF1NOS2 | |
| Hydrochloric Acid SCHEMBL22124948 | 0.66 | MAPT (0.36) | ALDH1A1MAPTCYP1A2KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL22124415 | 0.66 | ALDH1A1 (0.36) | ALDH1A1MAPTKDM4ELMNAHDAC8 | |
| Quinoline SCHEMBL11789653 | 0.59 | ALDH1A1 (0.90) | ALDH1A1MAPTCYP1A2EGFRKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-113195455-A | Herbicidal cinnolinium compounds | 先正达农作物保护股份公司 | 2021-07-30 | — | — | CN | disclosed |