Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.35 |
| ▸ | GAPDH | P04406 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | OXER1 | Q8TDS5 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.33 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | ADH1B | P00325 | 1/20 | 0.33 |
| ▸ | ADH1C | P00326 | 1/20 | 0.33 |
| ▸ | ADH1A | P07327 | 1/20 | 0.33 |
| ▸ | ADH4 | P08319 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7940963 | 1.00 | CA1 (0.38) | CA1GPR84MAPTACE2TRPA1 | |
| SCHEMBL6064447 | 0.85 | TSHR (0.46) | CA1FFAR1ACHEBACE1 | |
| SCHEMBL6064444 | 0.85 | TSHR (0.46) | CA1FFAR1ACHEBACE1 | |
| SCHEMBL7939877 | 0.81 | GPR84 (0.41) | CA1GPR84MAPTACE2TRPA1 | |
| SCHEMBL7939874 | 0.81 | GPR84 (0.41) | CA1GPR84MAPTACE2TRPA1 | |
| SCHEMBL15717843 | 0.77 | ACHE (0.46) | GPR84MAPTACE2FFAR1LCK | |
| SCHEMBL24416394 | 0.73 | ACHE (0.49) | GPR84MAPTACE2FFAR1LCK | |
| SCHEMBL21694620 | 0.73 | ACHE (0.49) | GPR84MAPTACE2FFAR1LCK | |
| SCHEMBL21694618 | 0.73 | ACHE (0.49) | GPR84MAPTACE2FFAR1LCK | |
| SCHEMBL21964955 | 0.73 | ACHE (0.49) | GPR84MAPTACE2FFAR1LCK |
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 |
|---|---|---|---|---|---|---|---|
| US-6288288-B1 | ALDOL CONDENSATION OF ALKYL METHYL KETONE, HYDROGENATION OF ALPHA, BETA UNSATURATED KETONES TO ALCOHOLS IN THE PRESENCE OF ALKALI METAL HYDROXIDE | CELANESE GMBH (DE) | 2001-09-11 | — | — | US | disclosed |