Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | WDR5 | P61964 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.34 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30361992 | 0.87 | ALDH1A1 (0.55) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL1239327 | 0.87 | ALDH1A1 (0.55) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL4423942 | 0.76 | ALDH1A1 (0.47) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL13839779 | 0.76 | TSHR (0.52) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL18320175 | 0.75 | ALDH1A1 (0.46) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL31543984 | 0.75 | ALDH1A1 (0.46) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL369327 | 0.73 | DNMT1 (0.50) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL30125426 | 0.73 | DNMT1 (0.50) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL10384451 | 0.73 | DNMT1 (0.50) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL9212726 | 0.72 | HSD17B10 (0.48) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 |
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-2017099430-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME | 주식회사 두산 | 2017-06-15 | — | — | WO | disclosed |