Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | PLG | P00747 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | PLAT | P00750 | 1/20 | 0.38 |
| ▸ | KLK1 | P06870 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL1683318 | 0.89 | ALDH1A1 (0.60) | ALDH1A1TSHRHSD17B10CYP3A4HPGD | |
| SCHEMBL11774848 | 0.82 | CYP3A4 (0.50) | ALDH1A1TSHRHSD17B10CYP3A4HPGD | |
| SCHEMBL23609884 | 0.79 | HPGD (0.42) | ALDH1A1TSHRHSD17B10CYP3A4HPGD | |
| SCHEMBL15111397 | 0.78 | ALDH1A1 (0.54) | ALDH1A1TSHRHSD17B10CYP3A4HPGD | |
| SCHEMBL16670455 | 0.78 | HPRT1 (0.58) | ALDH1A1TSHRHSD17B10CYP3A4HPGD | |
| SCHEMBL4851124 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TSHRHSD17B10CYP3A4HPGD | |
| SCHEMBL3543754 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TSHRHSD17B10CYP3A4HPGD | |
| SCHEMBL2067587 | 0.76 | ALDH1A1 (0.60) | ALDH1A1TSHRHSD17B10CYP3A4HPGD | |
| SCHEMBL24017144 | 0.76 | ALDH1A1 (0.60) | ALDH1A1TSHRHSD17B10CYP3A4HPGD | |
| SCHEMBL1835730 | 0.76 | ALDH1A1 (0.60) | ALDH1A1TSHRHSD17B10CYP3A4HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011014039-A1 | NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2011-02-03 | — | — | WO | disclosed |