Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.34 |
| ▸ | ABCC1 | P33527 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15856553 | 1.00 | ACLY (0.38) | ACLYAKR1C2AKR1C1CYP11B1CYP11B2 | |
| SCHEMBL15856440 | 0.97 | ACLY (0.39) | ACLYAKR1C2AKR1C1CYP11B1CYP11B2 | |
| SCHEMBL15856542 | 0.89 | ACLY (0.43) | ACLYAKR1C2AKR1C1CYP11B1CYP11B2 | |
| SCHEMBL15856511 | 0.89 | ACLY (0.43) | ACLYAKR1C2AKR1C1CYP11B1CYP11B2 | |
| SCHEMBL15856446 | 0.86 | ACLY (0.44) | ACLYCYP11B1CYP11B2TAAR1HSD17B1 | |
| SCHEMBL15856435 | 0.85 | ESR1 (0.41) | AKR1C2CYP11B1CYP11B2HSD17B1HSD17B2 | |
| SCHEMBL15856426 | 0.85 | TACR1 (0.35) | ACLYAKR1C2AKR1C1TAAR1SLC6A9 | |
| SCHEMBL15856399 | 0.85 | TACR1 (0.35) | ACLYAKR1C2AKR1C1TAAR1SLC6A9 | |
| SCHEMBL15852998 | 0.81 | ACLY (0.36) | ACLYAKR1C2AKR1C1CYP11B1CYP11B2 | |
| SCHEMBL15852981 | 0.81 | ACLY (0.36) | ACLYAKR1C2AKR1C1CYP11B1CYP11B2 |
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 |