Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.49 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.41 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19130472 | 1.00 | KIF11 (0.49) | KIF11CA4ACHENPC1RAB9A | |
| SCHEMBL18545739 | 1.00 | KIF11 (0.49) | KIF11CA4ACHENPC1RAB9A | |
| SCHEMBL6897457 | 0.94 | ACHE (0.48) | KIF11ACHENPC1RAB9ACES2 | |
| SCHEMBL28076973 | 0.91 | ENPP2 (0.46) | KIF11ACHENPC1RAB9ACES2 | |
| SCHEMBL28076971 | 0.91 | ENPP2 (0.46) | KIF11ACHENPC1RAB9ACES2 | |
| SCHEMBL15172393 | 0.87 | ALDH1A1 (0.43) | KIF11CA4NPC1RAB9ACA1 | |
| SCHEMBL14336006 | 0.86 | APP (0.46) | KIF11ACHENPC1RAB9ACES2 | |
| SCHEMBL2283180 | 0.84 | MAOB (0.46) | KIF11ACHENPC1RAB9AMAOB | |
| SCHEMBL18535840 | 0.84 | KIF11 (0.39) | KIF11ALDH1A1CYP3A4MAPK1 | |
| SCHEMBL9906174 | 0.82 | CA4 (0.52) | KIF11CA4CES2CES1CA1 |
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 |