Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | CASP1 | P29466 | 2/20 | 0.48 |
| ▸ | CASP7 | P55210 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.43 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.43 |
| ▸ | TYMS | P04818 | 2/20 | 0.41 |
| ▸ | TNF | P01375 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23068527 | 0.89 | ALDH1A1 (0.58) | ALDH1A1HSD17B10MAPK1TSHRATM | |
| SCHEMBL31107073 | 0.89 | ALDH1A1 (0.58) | ALDH1A1HSD17B10MAPK1TSHRATM | |
| SCHEMBL20561190 | 0.89 | ALDH1A1 (0.48) | ALDH1A1HSD17B10MAPK1TSHRATM | |
| SCHEMBL24839905 | 0.89 | CYP2A6 (0.45) | ALDH1A1HSD17B10MAPK1TSHRATM | |
| SCHEMBL3711865 | 0.86 | PDE6D (0.41) | ALDH1A1HSD17B10MAPK1TSHRATM | |
| SCHEMBL24839916 | 0.86 | CYP2A6 (0.42) | ALDH1A1HSD17B10MAPK1TSHRATM | |
| SCHEMBL10962686 | 0.85 | ALDH1A1 (0.65) | ALDH1A1HSD17B10MAPK1TSHRATM | |
| SCHEMBL30268605 | 0.85 | ALDH1A1 (0.65) | ALDH1A1HSD17B10MAPK1TSHRATM | |
| SCHEMBL24840291 | 0.84 | TSHR (0.44) | ALDH1A1HSD17B10MAPK1TSHRATM | |
| SCHEMBL728324 | 0.84 | ALDH1A1 (0.56) | ALDH1A1HSD17B10MAPK1TSHRATM |
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-2924020-B1 | FLUORANTHENE COMPOUND, AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME | LG CHEMICAL LTD (KR) | 2019-01-16 | — | — | EP | disclosed |