Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.41 |
| ▸ | LPL | P06858 | 1/20 | 0.39 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
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 | 0.93 | ESR1 (0.36) | ESR1ESR2LPLLIPGHSD17B1 | |
| SCHEMBL22958764 | 0.92 | GSTP1 (0.37) | ESR1ESR2LPLLIPGHSD17B1 | |
| SCHEMBL22958776 | 0.91 | SMN1; SMN2 (0.38) | ESR1ESR2LPLLIPGHSD17B1 | |
| SCHEMBL22958655 | 0.91 | CA12 (0.35) | ESR1ESR2PGRKDM4EALDH1A1 | |
| SCHEMBL22958654 | 0.91 | CA12 (0.35) | ESR1ESR2PGRKDM4EALDH1A1 | |
| SCHEMBL22958738 | 0.86 | MAPT (0.37) | PGRSMN1; SMN2KDM4EMAPTMEN1 | |
| SCHEMBL22958645 | 0.85 | GSTP1 (0.38) | ESR1ESR2LPLLIPGHSD17B1 | |
| SCHEMBL19038403 | 0.84 | PRKDC (0.35) | ESR1PGRSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL22958649 | 0.84 | ALDH1A1 (0.36) | HSD17B1HSD17B2PGRSMN1; SMN2KDM4E | |
| SCHEMBL19038404 | 0.84 | ALDH1A1 (0.36) | HSD17B1HSD17B2PGRSMN1; SMN2KDM4E |
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 |