Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2409845 | 0.90 | ALDH1A1 (0.40) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL2413958 | 0.88 | ALDH1A1 (0.44) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL24630 | 0.87 | ALDH1A1 (0.52) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL23972 | 0.87 | ALDH1A1 (0.52) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| Methane SCHEMBL28251706 | 0.85 | ALDH1A1 (0.50) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL152947 | 0.85 | ALDH1A1 (0.38) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL28296580 | 0.85 | CYP1A2 (0.39) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL1046484 | 0.82 | ALDH1A1 (0.33) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL578387 | 0.82 | ALDH1A1 (0.33) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL6537252 | 0.81 | ALDH1A1 (0.41) | ALDH1A1HPGDHSD17B10CYP3A4TSHR |
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 |