Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.61 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | TAS2R14 | Q9NYV8 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| P-Xylene SCHEMBL7126322 | 0.88 | MAPT (0.49) | ALDH1A1SRD5A2SMN1; SMN2GAALMNA | |
| Terephthalic Acid SCHEMBL5501539 | 0.88 | ALDH1A1 (0.79) | ALDH1A1SRD5A2SMN1; SMN2CYP2A6LMNA | |
| 4-Methylbenzoic Acid SCHEMBL11280739 | 0.88 | ALDH1A1 (0.79) | ALDH1A1SRD5A2SMN1; SMN2CYP2A6LMNA | |
| 4-Methylbenzoic Acid SCHEMBL28449050 | 0.88 | ALDH1A1 (0.71) | ALDH1A1SRD5A2SMN1; SMN2GAATHRB | |
| 4-Methylbenzoic Acid SCHEMBL11383447 | 0.88 | ALDH1A1 (0.79) | ALDH1A1SRD5A2SMN1; SMN2CYP2A6LMNA | |
| Terephthalic Acid SCHEMBL6473290 | 0.88 | ALDH1A1 (0.71) | ALDH1A1SRD5A2SMN1; SMN2GAATHRB | |
| Terephthalic Acid SCHEMBL11366672 | 0.88 | ALDH1A1 (0.79) | ALDH1A1SRD5A2SMN1; SMN2CYP2A6LMNA | |
| SCHEMBL28446567 | 0.88 | ALDH1A1 (0.71) | ALDH1A1SRD5A2SMN1; SMN2GAATHRB | |
| Benzyl Alcohol SCHEMBL17329110 | 0.83 | CYP2A6 (0.59) | ALDH1A1SMN1; SMN2CYP2A6LMNATDP1 | |
| Benzoic Acid SCHEMBL18406236 | 0.81 | ALDH1A1 (0.67) | ALDH1A1SRD5A2SMN1; SMN2CYP2A6LMNA |
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 |