Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 1/20 | 0.46 |
| ▸ | CCR6 | P51684 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | STAT1 | P42224 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28076971 | 1.00 | ENPP2 (0.46) | ENPP2CCR6KCNH2TP53NPC1 | |
| SCHEMBL6897457 | 0.93 | ACHE (0.48) | ENPP2CCR6KCNH2TP53NPC1 | |
| SCHEMBL19130472 | 0.91 | KIF11 (0.49) | ENPP2NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL18545739 | 0.91 | KIF11 (0.49) | ENPP2NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL28076997 | 0.91 | KIF11 (0.49) | ENPP2NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL14336006 | 0.88 | APP (0.46) | ENPP2CCR6KCNH2TP53NPC1 | |
| SCHEMBL9906174 | 0.85 | CA4 (0.52) | KCNH2SMN1; SMN2KMT2ALMNAHTT | |
| SCHEMBL28076980 | 0.85 | CA4 (0.52) | KCNH2SMN1; SMN2KMT2ALMNAHTT | |
| SCHEMBL7128923 | 0.84 | CA1 (0.55) | ENPP2ALDH1A1KMT2AMAPTLMNA | |
| SCHEMBL8992989 | 0.83 | RAB9A (0.53) | TP53NPC1RAB9ASMN1; SMN2ALDH1A1 |
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 |