Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.69 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.69 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.49 |
| ▸ | RIOK2 | Q9BVS4 | 1/20 | 0.47 |
| ▸ | AKT1 | P31749 | 1/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | APAF1 | O14727 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | IMPDH2 | P12268 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL763418 | 0.93 | CYP1A2 (0.55) | CYP1A2CYP2A6CYP19A1AKT1TBXAS1 | |
| SCHEMBL6114863 | 0.89 | CYP1A2 (0.55) | CYP1A2CYP2A6CYP19A1RIOK2TBXAS1 | |
| SCHEMBL31534025 | 0.83 | CYP2A6 (1.00) | CYP1A2CYP2A6RIOK2MAPTALDH1A1 | |
| SCHEMBL73386 | 0.83 | CYP2A6 (1.00) | CYP1A2CYP2A6RIOK2MAPTALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL7978193 | 0.81 | CYP2A6 (0.95) | CYP1A2CYP2A6RIOK2MAPTALDH1A1 | |
| Lithium SCHEMBL31073461 | 0.81 | CYP2A6 (0.95) | CYP1A2CYP2A6RIOK2MAPTALDH1A1 | |
| Naphthalene SCHEMBL27280273 | 0.81 | CYP2A6 (0.95) | CYP1A2CYP2A6RIOK2MAPTALDH1A1 | |
| Ethylene SCHEMBL27321489 | 0.79 | CYP2A6 (0.91) | CYP1A2CYP2A6RIOK2MAPTALDH1A1 | |
| Methane SCHEMBL27919312 | 0.79 | CYP2A6 (0.91) | CYP1A2CYP2A6RIOK2MAPTALDH1A1 | |
| Isoquinoline SCHEMBL9809197 | 0.79 | TNF (0.41) | CYP1A2CYP19A1MAPTKDM4EALDH1A1 |
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-1753842-A1 | INHIBITOR ENHANCED THERMAL UPGRADING OF HEAVY OILS VIA MESOPHASE SUPPRESSION USING OIL SOLUBLE POLYNUCLEAR AROMATICS | ExxonMobil Research and Engineering Company (US) | 2007-02-21 | — | — | EP | disclosed |
| WO-2005113725-A1 | INHIBITOR ENHANCED THERMAL UPGRADING OF HEAVY OILS VIA MESOPHASE SUPPRESSION USING OIL SOLUBLE POLYNUCLEAR AROMATICS | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2005-12-01 | — | — | WO | disclosed |