Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | TNFRSF1A | P19438 | 2/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11957099 | 0.96 | HDAC1 (0.39) | HDAC1HDAC2HDAC3CHEK1TNFRSF1A | |
| SCHEMBL13183567 | 0.94 | CYP1A2 (0.50) | HDAC1HDAC2HDAC3CHEK1TNFRSF1A | |
| SCHEMBL13183630 | 0.88 | CYP2A6 (0.52) | HDAC1HDAC2HDAC3CHEK1TNFRSF1A | |
| SCHEMBL13183575 | 0.86 | HPGDS (0.42) | HDAC1HDAC2HDAC3CHEK1TNFRSF1A | |
| SCHEMBL695227 | 0.82 | SLC6A7 (0.41) | HDAC1HDAC2HDAC3CHEK1TNFRSF1A | |
| SCHEMBL25736152 | 0.78 | AHR (0.48) | HDAC1HDAC2HDAC3CHEK1TNFRSF1A | |
| SCHEMBL1622506 | 0.78 | TSHR (0.46) | HDAC1HDAC2HDAC3CHEK1TNFRSF1A | |
| SCHEMBL10366754 | 0.78 | TNFRSF1A (0.40) | HDAC1HDAC2HDAC3CHEK1TNFRSF1A | |
| SCHEMBL13183603 | 0.77 | HSD17B1 (0.44) | SLC6A7HSD17B1HSD17B2CYP3A4CYP2D6 | |
| SCHEMBL28268808 | 0.77 | HSD17B1 (0.55) | HDAC1HDAC2HDAC3SLC6A7HSD17B1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106831364-A | Wide band gap naphthalene organic semiconductor material and preparation method and application thereof | 南京工业大学 | 2017-06-13 | — | — | CN | disclosed |