Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 4/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 10/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 5/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18400777 | 0.88 | NPSR1 (0.36) | ALDH1A1L3MBTL1TDP1HPGDMAPT | |
| SCHEMBL11932372 | 0.84 | TRPM8 (0.40) | ALDH1A1GAACYP2C19MEN1KMT2A | |
| SCHEMBL16500988 | 0.82 | NPSR1 (0.34) | ALDH1A1L3MBTL1HPGDMAPTPOLB | |
| SCHEMBL20814556 | 0.81 | TRPM8 (0.38) | ALDH1A1L3MBTL1TDP1MAPTCYP1A2 | |
| SCHEMBL13271324 | 0.80 | RELA (0.38) | ALDH1A1L3MBTL1TDP1MAPK1HPGD | |
| SCHEMBL21574238 | 0.77 | NPSR1 (0.31) | — | |
| SCHEMBL23280814 | 0.76 | CYP3A4 (0.35) | CYP3A4LMNA | |
| SCHEMBL19466009 | 0.76 | TP53 (0.33) | ALDH1A1TDP1HPGDCYP2C9CYP2C19 | |
| SCHEMBL25733612 | 0.76 | ALDH1A1 (0.35) | ALDH1A1ALOX12L3MBTL1HSD17B10ALOX15 | |
| SCHEMBL22173846 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1791929-B1 | NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME(5) | LG CHEMICAL LTD (KR) | 2010-09-01 | — | — | EP | disclosed |