Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.33 |
| ▸ | KMO | O15229 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15856499 | 0.97 | ACLY (0.38) | ACLYCYP11B1CYP11B2HSD17B1HSD17B2 | |
| SCHEMBL15856553 | 0.97 | ACLY (0.38) | ACLYCYP11B1CYP11B2HSD17B1HSD17B2 | |
| SCHEMBL15856446 | 0.90 | ACLY (0.44) | ACLYCYP11B1CYP11B2HSD17B1HSD17B2 | |
| SCHEMBL15856511 | 0.86 | ACLY (0.43) | ACLYCYP11B1CYP11B2HSD17B1HSD17B2 | |
| SCHEMBL15856542 | 0.86 | ACLY (0.43) | ACLYCYP11B1CYP11B2HSD17B1HSD17B2 | |
| SCHEMBL15856334 | 0.84 | ACLY (0.34) | ACLYAKR1C2AKR1C1SLC6A9MEN1 | |
| SCHEMBL15856335 | 0.84 | ACLY (0.34) | ACLYAKR1C2AKR1C1SLC6A9MEN1 | |
| SCHEMBL15852995 | 0.83 | ACLY (0.37) | ACLYCYP11B1CYP11B2HSD17B1HSD17B2 | |
| SCHEMBL19901503 | 0.83 | ACLY (0.37) | ACLYCYP11B1CYP11B2HSD17B1HSD17B2 | |
| SCHEMBL15856439 | 0.83 | SLC6A9 (0.35) | ACLYSLC6A9ACMSD |
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-20140183468-A1 | PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING THE SAME | SAMSUNG DISPLAY CO., LTD. (KR) | 2014-07-03 | — | — | US | disclosed |