Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | HBB | P68871 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 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 | |
|---|---|---|---|---|
| SCHEMBL18787373 | 0.84 | CYP2A6 (0.36) | TDP1 | |
| SCHEMBL8243677 | 0.83 | ALDH1A1 (0.33) | ALDH1A1MEN1KMT2AMAPTHSD17B10 | |
| SCHEMBL15896261 | 0.83 | CYP2A6 (0.42) | ALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL19654862 | 0.81 | PDPK1 (0.39) | — | |
| SCHEMBL12831961 | 0.81 | CYP3A4 (0.35) | ALDH1A1KDM4EHSD17B10CYP3A4CASP1 | |
| SCHEMBL13619442 | 0.79 | ESR1 (0.41) | ALDH1A1KDM4EMAPTPOLBSLC6A2 | |
| SCHEMBL14542750 | 0.79 | ESR1 (0.41) | ALDH1A1KDM4EMAPTPOLBSLC6A2 | |
| SCHEMBL23204388 | 0.78 | SCN9A (0.37) | PLAUF2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL25008914 | 0.78 | ESR1 (0.42) | CYP3A4 | |
| SCHEMBL25646278 | 0.77 | — | — |
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-3683208-A1 | COMPOUND, COATING COMPOSITION COMPRISING SAME, AND ORGANIC LIGHT-EMITTING DEVICE | LG CHEM, LTD. (KR) | 2020-07-22 | — | — | EP | disclosed |