Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.52 |
| ▸ | PPARG | P37231 | 7/20 | 0.52 |
| ▸ | PPARD | Q03181 | 7/20 | 0.52 |
| ▸ | PPARA | Q07869 | 7/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.52 |
| ▸ | TSHR | P16473 | 4/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | TLR2 | O60603 | 2/20 | 0.52 |
| ▸ | FABP4 | P15090 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.52 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Valeric Acid SCHEMBL3416722 | 0.98 | CYP1A2 (0.57) | AKR1B1CYP1A2MAPK1SMN1; SMN2GPR84 | |
| Hexanoate SCHEMBL3416332 | 0.94 | AKR1B1 (0.64) | AKR1B1CYP1A2MAPK1SMN1; SMN2GPR84 | |
| Heptanoate SCHEMBL3414511 | 0.92 | GPR84 (0.65) | AKR1B1CYP1A2GPR84PPARGPPARD | |
| Octanoic Acid SCHEMBL3412893 | 0.92 | GPR84 (0.65) | AKR1B1CYP1A2GPR84PPARGPPARD | |
| Hexanoate SCHEMBL3414518 | 0.92 | AKR1B1 (0.61) | AKR1B1CYP1A2MAPK1SMN1; SMN2GPR84 | |
| Heptanoate SCHEMBL3411704 | 0.90 | GPR84 (0.63) | AKR1B1CYP1A2MAPK1SMN1; SMN2GPR84 | |
| Stearic Acid SCHEMBL7718978 | 0.90 | GPR84 (0.63) | AKR1B1CYP1A2MAPK1SMN1; SMN2GPR84 | |
| Dodecanoate SCHEMBL28165247 | 0.90 | GPR84 (0.63) | AKR1B1CYP1A2MAPK1SMN1; SMN2GPR84 | |
| Octanoic Acid SCHEMBL3414539 | 0.90 | GPR84 (0.63) | AKR1B1CYP1A2MAPK1SMN1; SMN2GPR84 | |
| Butyric Acid SCHEMBL3414498 | 0.87 | FFAR3 (0.59) | AKR1B1CYP1A2MAPK1SMN1; SMN2GPR84 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2265617-B1 | SOLVENTS | BIONIQS LTD (GB) | 2014-07-02 | — | — | EP | claimed |
| EP-2265617-A1 | SOLVENTS | Bioniqs Limited (GB) | 2010-12-29 | — | — | EP | claimed |
| WO-2009034329-A1 | SOLVENTS | BIONIQS LIMITED (GB) | 2009-03-19 | — | — | WO | claimed |
| EP-2265617-B1 | SOLVENTS | BIONIQS LTD (GB) | 2014-07-02 | — | — | EP | disclosed |
| EP-2265617-A1 | SOLVENTS | Bioniqs Limited (GB) | 2010-12-29 | — | — | EP | disclosed |
| WO-2009034329-A1 | SOLVENTS | BIONIQS LIMITED (GB) | 2009-03-19 | — | — | WO | disclosed |