Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTP1 | P09211 | 1/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22958664 | 0.99 | ESR1 (0.36) | GSTP1HSD17B1HSD17B2HDAC4HDAC2 | |
| SCHEMBL22958776 | 0.94 | SMN1; SMN2 (0.38) | GSTP1HSD17B1HSD17B2KDM4EALDH1A1 | |
| SCHEMBL22958669 | 0.92 | ESR1 (0.41) | GSTP1HSD17B1HSD17B2KDM4EALDH1A1 | |
| SCHEMBL22958645 | 0.91 | GSTP1 (0.38) | GSTP1HSD17B1HSD17B2HDAC4HDAC2 | |
| SCHEMBL22958765 | 0.90 | MAPT (0.39) | GSTP1HSD17B1HSD17B2HDAC4HDAC2 | |
| SCHEMBL22958653 | 0.89 | MGLL (0.33) | KDM4EALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL22958745 | 0.88 | MAPT (0.39) | GSTP1HSD17B1HSD17B2HDAC4HDAC2 | |
| SCHEMBL22958718 | 0.87 | MGLL (0.34) | ALDH1A1 | |
| SCHEMBL22958662 | 0.85 | ESR1 (0.38) | GSTP1HSD17B1HSD17B2HDAC4HDAC2 | |
| SCHEMBL22958739 | 0.85 | MGLL (0.34) | ALDH1A1SMN1; SMN2MEN1KMT2ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20210043852-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | SAMSUNG DISPLAY CO., LTD. (KR) | 2021-02-11 | — | — | US | disclosed |