Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TYMS | P04818 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CASP6 | P55212 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1274665 | 0.84 | ALDH1A1 (0.53) | ALDH1A1TDP1HSD17B10CYP3A4HPRT1 | |
| SCHEMBL27818709 | 0.82 | ALDH1A1 (0.57) | ALDH1A1TDP1HSD17B10CYP3A4HPRT1 | |
| SCHEMBL7994730 | 0.76 | ALDH1A1 (0.49) | ALDH1A1TDP1HSD17B10CYP3A4HPRT1 | |
| SCHEMBL1273963 | 0.76 | ALDH1A1 (0.61) | ALDH1A1TDP1HSD17B10CYP3A4HPRT1 | |
| Acrylic Acid SCHEMBL28837859 | 0.75 | ALDH1A1 (0.44) | ALDH1A1TDP1HSD17B10CYP3A4HPRT1 | |
| SCHEMBL7994729 | 0.74 | ALDH1A1 (0.46) | ALDH1A1TDP1HSD17B10CYP3A4HPRT1 | |
| SCHEMBL15835408 | 0.73 | ALDH1A1 (0.43) | ALDH1A1TDP1HSD17B10CYP3A4HPRT1 | |
| 1-Nitropyrene SCHEMBL339725 | 0.73 | ALDH1A1 (0.57) | ALDH1A1TDP1HSD17B10CYP3A4HPRT1 | |
| 1-Nitropyrene SCHEMBL29450697 | 0.73 | ALDH1A1 (0.57) | ALDH1A1TDP1HSD17B10CYP3A4HPRT1 | |
| SCHEMBL31478092 | 0.72 | TDP1 (0.53) | ALDH1A1TDP1HSD17B10CYP3A4ALOX15 |
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-2014098455-A1 | NOVEL ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME | 주식회사 두산 (KR) | 2014-06-26 | — | — | WO | disclosed |