Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 2/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | RXRB | P28702 | 1/20 | 0.35 |
| ▸ | RXRG | P48443 | 1/20 | 0.35 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.34 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.34 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.34 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.34 |
| ▸ | ATP1A2 | P50993 | 1/20 | 0.34 |
| ▸ | ATP1B3 | P54709 | 1/20 | 0.34 |
| ▸ | FXYD2 | P54710 | 1/20 | 0.34 |
| ▸ | ATP1A4 | Q13733 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19901477 | 0.86 | AKR1C3 (0.36) | ACLYAKR1C2AKR1C1ATP1A1ATP1B1 | |
| SCHEMBL15856440 | 0.83 | ACLY (0.39) | ACLYAKR1C2AKR1C1CYP11B1CYP11B2 | |
| SCHEMBL19901442 | 0.79 | AKR1C3 (0.41) | AKR1C2CYP11B1CYP11B2ACMSDAKR1C3 | |
| SCHEMBL15856499 | 0.79 | ACLY (0.38) | ACLYAKR1C2AKR1C1CYP11B1CYP11B2 | |
| SCHEMBL15856553 | 0.79 | ACLY (0.38) | ACLYAKR1C2AKR1C1CYP11B1CYP11B2 | |
| SCHEMBL19901408 | 0.79 | AKR1C3 (0.42) | AKR1C2AKR1C1HSD17B1HSD17B2ACMSD | |
| SCHEMBL19901435 | 0.79 | AKR1C3 (0.42) | AKR1C2AKR1C1HSD17B1HSD17B2ACMSD | |
| SCHEMBL15852995 | 0.79 | ACLY (0.37) | ACLYAKR1C2AKR1C1CYP11B1CYP11B2 | |
| SCHEMBL19901434 | 0.78 | PTGS1 (0.37) | ACLYAKR1C2AKR1C1PTGS2PTGS1 | |
| SCHEMBL19901449 | 0.78 | AKR1C3 (0.41) | ACLYAKR1C2CYP11B1CYP11B2HSD17B1 |
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-9905776-B2 | Pyrene-based compound and organic light-emitting diode comprising the same | SAMSUNG DISPLAY CO., LTD. (KR) | 2018-02-27 | — | — | US | disclosed |