Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL578387 | 0.86 | ALDH1A1 (0.33) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL1046484 | 0.86 | ALDH1A1 (0.33) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| Methane SCHEMBL28251706 | 0.80 | ALDH1A1 (0.50) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL2408326 | 0.79 | ALDH1A1 (0.39) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL510450 | 0.75 | ALDH1A1 (0.41) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL2413958 | 0.75 | ALDH1A1 (0.44) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL2410149 | 0.75 | ALDH1A1 (0.44) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL2414059 | 0.72 | ALDH1A1 (0.46) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL5749324 | 0.71 | CYP2A6 (0.33) | — | |
| SCHEMBL2262927 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021079915-A1 | TRIAZINE COMPOUND HAVING PYRIDYL GROUP AND PYRIDINE COMPOUND | 東ソー株式会社 | 2021-04-29 | — | — | WO | disclosed |
| WO-2011105700-A1 | NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2011-09-01 | — | — | WO | disclosed |