Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28076784 | 1.00 | NFE2L2 (0.47) | NFE2L2KMT2AMEN1MAOAMAOB | |
| SCHEMBL6935441 | 0.91 | LMNA (0.49) | LMNAHTTNPSR1ALDH1A1AOC3 | |
| SCHEMBL6935611 | 0.87 | CYP3A4 (0.50) | KMT2AMEN1LMNAHTTNPSR1 | |
| SCHEMBL28076974 | 0.84 | KIF11 (0.54) | KMT2AMEN1LMNAHTTNPSR1 | |
| SCHEMBL28076975 | 0.84 | KIF11 (0.54) | KMT2AMEN1LMNAHTTNPSR1 | |
| SCHEMBL13096611 | 0.81 | RAB9A (0.53) | NFE2L2KMT2AMAOAMAOBALDH1A1 | |
| SCHEMBL29226469 | 0.81 | SMN1; SMN2 (0.44) | LMNAHTTNPSR1ALDH1A1AOC3 | |
| SCHEMBL29226472 | 0.81 | SMN1; SMN2 (0.44) | LMNAHTTNPSR1ALDH1A1AOC3 | |
| SCHEMBL11764142 | 0.79 | KMT2A (0.53) | KMT2AMEN1LMNAHTTNPSR1 | |
| SCHEMBL28076991 | 0.79 | NFE2L2 (0.52) | NFE2L2KMT2AMEN1MAOAMAOB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105732249-B | Aryl alcohol compound and escitalopram synthetic method | 中国科学院上海有机化学研究所 | 2019-03-15 | — | — | CN | disclosed |
| CN-105732249-A | Synthesis method of aryl alcohol compound and Escitalopram | 中国科学院上海有机化学研究所 | 2016-07-06 | — | — | CN | disclosed |