Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.41 |
| ▸ | SLC16A3 | O15427 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.37 |
| ▸ | MYC | P01106 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| O-Xylene SCHEMBL7125334 | 0.87 | L3MBTL1 (0.41) | TSHRALDH1A1HTTSLC16A3L3MBTL1 | |
| Toluic Acid SCHEMBL6553607 | 0.84 | ALDH1A1 (0.67) | TSHRALDH1A1HTTHPGDPOLB | |
| O-Xylene SCHEMBL28779250 | 0.76 | ALDH1A1 (0.57) | TSHRALDH1A1HTTHPGDPOLB | |
| SCHEMBL374696 | 0.74 | FOLH1 (0.61) | TSHRALDH1A1HTTFOLH1HPGD | |
| Toluene SCHEMBL27935612 | 0.73 | FOLH1 (0.52) | TSHRALDH1A1HTTFOLH1SLC16A3 | |
| SCHEMBL6043201 | 0.73 | FOLH1 (0.59) | TSHRALDH1A1HTTFOLH1HPGD | |
| SCHEMBL8768476 | 0.73 | FOLH1 (0.59) | TSHRALDH1A1HTTFOLH1HPGD | |
| Toluic Acid SCHEMBL4730975 | 0.72 | ALDH1A1 (0.62) | ALDH1A1HTTHPGDPOLBLMNA | |
| Acetic Acid SCHEMBL5037208 | 0.71 | HPGD (0.50) | ALDH1A1HTTHPGDGAALMNA | |
| Toluic Acid SCHEMBL29281084 | 0.71 | ALDH1A1 (0.55) | TSHRALDH1A1HTTHPGDPOLB |
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-20030073206-A1 | Use of xylene monooxygenase for the oxidation of substituted monocyclic aromatic compounds | E. I. DU PONT DE NEMOURS AND COMPANY | 2003-04-17 | — | — | US | disclosed |