Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 9/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | ACLY | P53396 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28122684 | 0.98 | CYP2A6 (0.52) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 | |
| SCHEMBL23242620 | 0.98 | CYP2A6 (0.52) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 | |
| SCHEMBL28431976 | 0.89 | ACLY (0.53) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 | |
| SCHEMBL13785076 | 0.85 | CYP2A6 (0.47) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 | |
| SCHEMBL21476509 | 0.83 | CYP2A6 (0.60) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 | |
| SCHEMBL23096923 | 0.83 | KIF11 (0.61) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 | |
| SCHEMBL14327641 | 0.82 | CYP2A6 (0.52) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 | |
| SCHEMBL22693743 | 0.82 | CYP2A6 (0.42) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 | |
| SCHEMBL13785062 | 0.81 | CYP2A6 (0.47) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 | |
| SCHEMBL29514840 | 0.81 | CYP2A6 (0.50) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102903854-A | White-light organic electroluminescent device and production method thereof | UNIV ELECTRONIC SCIENCE & TECH | 2013-01-30 | — | — | CN | claimed |
| WO-2015063543-A1 | HYDRIDOPALLADIUM(II) HALIDES AS PREFORMED CATALYSTS FOR SUZUKI-MIYAURA CROSS-COUPLING REACTIONS | LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) | 2015-05-07 | — | — | WO | disclosed |
| WO-2015063543-A1 | HYDRIDOPALLADIUM(II) HALIDES AS PREFORMED CATALYSTS FOR SUZUKI-MIYAURA CROSS-COUPLING REACTIONS | LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) | 2015-05-07 | — | — | WO | disclosed |
| CN-102903854-A | White-light organic electroluminescent device and production method thereof | UNIV ELECTRONIC SCIENCE & TECH | 2013-01-30 | — | — | CN | disclosed |