Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 8/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.41 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.37 |
| ▸ | SLC22A8 | Q8TCC7 | 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 | |
|---|---|---|---|---|
| Acetoacetic Acid SCHEMBL9680475 | 1.00 | GPR84 (0.42) | GPR84CA2MAPK1FFAR1FFAR4 | |
| Acetoacetic Acid SCHEMBL1627295 | 0.94 | GPR84 (0.50) | GPR84FFAR1FFAR4AKR1B1FAAH | |
| Malonic Acid SCHEMBL28290691 | 0.89 | GPR84 (0.47) | GPR84CA2MAPK1FFAR1FFAR4 | |
| Acetoacetic Acid SCHEMBL9682963 | 0.87 | HDAC1 (0.41) | GPR84FFAR1FFAR4ALDH1A1TSHR | |
| Acetoacetic Acid SCHEMBL2381598 | 0.87 | HDAC1 (0.41) | GPR84FFAR1FFAR4ALDH1A1TSHR | |
| Acetic Acid SCHEMBL27447217 | 0.84 | CA2 (0.50) | GPR84CA2MAPK1FFAR1FFAR4 | |
| Acetoacetic Acid SCHEMBL28656373 | 0.83 | PTPN1 (0.39) | GPR84FFAR1FFAR4 | |
| Malonic Acid SCHEMBL30377870 | 0.83 | GPR84 (0.55) | GPR84FFAR1FFAR4AKR1B1FAAH | |
| Propionic Acid SCHEMBL27488815 | 0.82 | FFAR3 (0.50) | GPR84CA2MAPK1FFAR1FFAR4 | |
| Acetoacetic Acid SCHEMBL6022554 | 0.82 | AKR1B1 (0.48) | GPR84FFAR1FFAR4AKR1B1ALDH1A1 |
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-5126373-A | Ester or diester of 1,3-butanediol or 1,3-pentanediol; side effect reduction | BRUNENGRABER HENRI (US) | 1992-06-30 | — | — | US | disclosed |