Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 9/20 | 0.88 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.88 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL597735 | 0.94 | CYP1A2 (1.00) | CYP2A6CYP1A2TDP1ALDH1A1HPGD | |
| SCHEMBL29470563 | 0.94 | CYP1A2 (1.00) | CYP2A6CYP1A2TDP1ALDH1A1HPGD | |
| Ammonia Solution, Strong SCHEMBL27919256 | 0.91 | CYP1A2 (0.95) | CYP2A6CYP1A2TDP1ALDH1A1HPGD | |
| SCHEMBL588278 | 0.90 | CYP1A2 (0.84) | CYP2A6CYP1A2TDP1ALDH1A1HPGD | |
| O-Xylene SCHEMBL7555306 | 0.89 | CYP2A6 (0.91) | CYP2A6CYP1A2TDP1ALDH1A1HPGD | |
| SCHEMBL27905506 | 0.86 | CYP1A2 (0.70) | CYP2A6CYP1A2TDP1ALDH1A1HPGD | |
| SCHEMBL6764197 | 0.86 | CYP1A2 (0.70) | CYP2A6CYP1A2TDP1ALDH1A1HPGD | |
| SCHEMBL9764735 | 0.86 | CYP1A2 (0.70) | CYP2A6CYP1A2TDP1ALDH1A1HPGD | |
| SCHEMBL5494664 | 0.86 | CYP2A6 (0.70) | CYP2A6CYP1A2TDP1ALDH1A1HPGD | |
| SCHEMBL28887801 | 0.82 | CYP1A2 (0.78) | CYP2A6CYP1A2TDP1ALDH1A1HPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1483379-A2 | USE OF XYLENE MONOOXYGENASE FOR THE OXIDATION OF SUBSTITUTED POLYCYCLIC AROMATIC COMPOUNDS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2004-12-08 | — | — | EP | claimed |
| WO-2003068735-A2 | USE OF XYLENE MONOOXYGENASE FOR THE OXIDATION OF SUBSTITUTED POLYCYCLIC AROMATIC COMPOUNDS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2003-08-21 | — | — | WO | claimed |
| US-20030077768-A1 | Use of xylene monooxygenase for the oxidation of substituted polycyclic aromatic compounds | E.I. DU PONT DE NEMOURS AND COMPANY | 2003-04-24 | — | — | US | claimed |