Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | TTR | P02766 | 1/20 | 0.44 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 2/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.43 |
| ▸ | MPL | P40238 | 2/20 | 0.43 |
| ▸ | CTRC | Q99895 | 2/20 | 0.43 |
| ▸ | ATIC | P31939 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL428169 | 0.87 | AURKA (0.43) | ERN1CA1CA2AURKAAURKB | |
| Phenolsulphonic Acid SCHEMBL8882833 | 0.85 | CA1 (0.58) | CA1CA2CA9HCRTR1AURKA | |
| 1-Naphthol SCHEMBL28950266 | 0.85 | CYP1A2 (0.63) | CA1CA2CA9HCRTR1AURKA | |
| Pyrogallol SCHEMBL28731616 | 0.83 | CA1 (0.56) | CA1CA2CA9HCRTR1AURKA | |
| Formic Acid SCHEMBL27752452 | 0.83 | CA1 (0.55) | ERN1CA1CA2CA9HCRTR1 | |
| SCHEMBL30304762 | 0.83 | CA1 (0.63) | CA1CA2CA9HCRTR1CYP1A2 | |
| SCHEMBL29358913 | 0.83 | CA1 (0.63) | CA1CA2CA9HCRTR1CYP1A2 | |
| SCHEMBL4323 | 0.83 | CA1 (0.63) | CA1CA2CA9HCRTR1CYP1A2 | |
| SCHEMBL27719293 | 0.83 | CA1 (0.63) | CA1CA2CA9HCRTR1CYP1A2 | |
| Phenolsulphonic Acid SCHEMBL8062399 | 0.82 | CA1 (0.55) | CA1CA2CA9HCRTR1AURKA |
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 |
|---|---|---|---|---|---|---|---|
| US-5002605-A | Herbicides | ICI AMERICAS INC. (US) | 1991-03-26 | — | — | US | disclosed |
| US-4859234-A | Herbicidal compositions of acylated 1,3-dicarbonyl herbicides and phenoxyalkanoic acids, salts, amides and esters therof as antidotes | ICI AMERICAS INC. (US) | 1989-08-22 | — | — | US | disclosed |