Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | HNF4A | P41235 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | ACLY | P53396 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL27734030 | 0.85 | BACE1 (0.50) | CYP2A6BACE1ALDH1A1BCL2L1HPGD | |
| SCHEMBL28043788 | 0.76 | CYP2A6 (0.48) | CYP2A6BACE1ALDH1A1BCL2L1HPGD | |
| SCHEMBL28075125 | 0.76 | CRHBP (0.45) | BACE1ALDH1A1BCL2L1HPGDHSD17B10 | |
| SCHEMBL2194291 | 0.76 | ESR2 (0.46) | CYP2A6BACE1ALDH1A1BCL2L1HPGD | |
| SCHEMBL27943007 | 0.76 | BACE1 (0.38) | BACE1ALDH1A1BCL2L1HPGDHSD17B10 | |
| SCHEMBL5470482 | 0.73 | HNF4A (0.59) | ALDH1A1HPGDHDAC4HDAC2HDAC8 | |
| SCHEMBL669192 | 0.72 | CYP2A6 (0.62) | CYP2A6BACE1ALDH1A1BCL2L1HPGD | |
| SCHEMBL315854 | 0.72 | — | — | |
| SCHEMBL16719845 | 0.72 | ESR2 (0.42) | CYP2A6BACE1ALDH1A1BCL2L1HPGD | |
| SCHEMBL7460316 | 0.72 | CYP2A6 (0.42) | CYP2A6ALDH1A1HPGDESR2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101360708-B | Purification 2-aryl-3, the method for double (hydroxyaryl) benzo [c] pyrrolidone of 3- | 沙特基础全球技术有限公司 | 2016-08-17 | — | — | CN | disclosed |