Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.40 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.39 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | OXER1 | Q8TDS5 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.35 |
| ▸ | GABRR2 | P28476 | 2/20 | 0.35 |
| ▸ | BLM | P54132 | 2/20 | 0.35 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3608242 | 0.83 | — | — | |
| SCHEMBL2728624 | 0.83 | — | — | |
| SCHEMBL12648287 | 0.83 | — | — | |
| Alcohol SCHEMBL28123191 | 0.80 | PPARA (0.50) | PPARAACHEBACE1TSHRALDH1A1 | |
| Alcohol SCHEMBL28123192 | 0.80 | PPARA (0.50) | PPARAACHEBACE1TSHRALDH1A1 | |
| SCHEMBL3362126 | 0.79 | — | — | |
| SCHEMBL8507852 | 0.79 | — | — | |
| SCHEMBL14385612 | 0.79 | — | — | |
| SCHEMBL11812161 | 0.78 | KDM4E (0.47) | PPARATSHRALDH1A1OXER1KDM4E | |
| SCHEMBL11812155 | 0.78 | KDM4E (0.47) | PPARATSHRALDH1A1OXER1KDM4E |
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-20170335352-A1 | MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE | AGAIN BIO APS (DK) | 2017-11-23 | — | — | US | disclosed |