Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.67 |
| ▸ | TSHR | P16473 | 1/20 | 0.67 |
| ▸ | MYC | P01106 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
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 SCHEMBL28779250 | 0.87 | ALDH1A1 (0.57) | ALDH1A1TSHRMYCHPGDKDM4E | |
| Toluic Acid SCHEMBL7125331 | 0.84 | TSHR (0.47) | ALDH1A1TSHRMYCHPGDKDM4E | |
| Toluic Acid SCHEMBL27333971 | 0.84 | ALDH1A1 (0.55) | ALDH1A1MYCHPGDKDM4EHSD17B10 | |
| Toluic Acid SCHEMBL28037745 | 0.84 | ALDH1A1 (0.65) | ALDH1A1MYCHPGDKDM4EHSD17B10 | |
| Toluic Acid SCHEMBL148201 | 0.84 | ALDH1A1 (0.65) | ALDH1A1MYCHPGDKDM4EHSD17B10 | |
| Toluic Acid SCHEMBL29414127 | 0.84 | ALDH1A1 (0.65) | ALDH1A1MYCHPGDKDM4EHSD17B10 | |
| Toluic Acid SCHEMBL6571818 | 0.84 | ALDH1A1 (0.65) | ALDH1A1MYCHPGDKDM4EHSD17B10 | |
| Toluic Acid SCHEMBL4152 | 0.84 | ALDH1A1 (0.65) | ALDH1A1MYCHPGDKDM4EHSD17B10 | |
| Toluic Acid SCHEMBL6913659 | 0.82 | ALDH1A1 (0.62) | ALDH1A1MYCHPGDKDM4EHSD17B10 | |
| Toluic Acid SCHEMBL6113300 | 0.82 | ALDH1A1 (0.62) | ALDH1A1MYCHPGDKDM4EHSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1485470-A2 | USE OF XYLENE MONOOXYGENASE FOR THE OXIDATION OF SUBSTITUTED MONOCYCLIC AROMATIC COMPOUNDS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2004-12-15 | — | — | EP | disclosed |
| WO-2003014368-A2 | USE OF XYLENE MONOOXYGENASE FOR THE OXIDATION OF SUBSTITUTED MONOCYCLIC AROMATIC COMPOUNDS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2003-02-20 | — | — | WO | disclosed |