Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 2/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL22415166 | 0.78 | ESR1 (0.39) | SRCHSD17B1HSD17B2CYP11B1CYP11B2 | |
| SCHEMBL24353250 | 0.78 | HSD17B1 (0.59) | SRCHSD17B1HSD17B2CYP1A1CYP1B1 | |
| SCHEMBL22186308 | 0.78 | HSD17B1 (0.59) | SRCHSD17B1HSD17B2CYP1A1CYP1B1 | |
| SCHEMBL21667606 | 0.78 | HSD17B1 (0.59) | SRCHSD17B1HSD17B2CYP1A1CYP1B1 | |
| SCHEMBL21667461 | 0.78 | HSD17B1 (0.59) | SRCHSD17B1HSD17B2CYP1A1CYP1B1 | |
| SCHEMBL24377159 | 0.75 | HSD17B1 (0.55) | BACE1HSD17B1HSD17B2CYP1A1CYP1B1 | |
| SCHEMBL24353200 | 0.75 | HSD17B1 (0.55) | BACE1HSD17B1HSD17B2CYP1A1CYP1B1 | |
| SCHEMBL24377096 | 0.75 | HSD17B1 (0.55) | BACE1HSD17B1HSD17B2CYP1A1CYP1B1 | |
| SCHEMBL24353205 | 0.75 | MEN1 (0.56) | HSD17B1HSD17B2CYP1A1CYP1B1CYP11B1 | |
| SCHEMBL24377037 | 0.75 | HSD17B1 (0.55) | BACE1HSD17B1HSD17B2CYP1A1CYP1B1 |
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-2024128698-A1 | COMPOSITION FOR ORGANIC OPTOELECTRONIC DIODE, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE | 삼성에스디아이 주식회사 | 2024-06-20 | — | — | WO | disclosed |