Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 8/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28076878 | 1.00 | KIF11 (0.55) | KIF11KCNH2ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL28076975 | 0.86 | KIF11 (0.54) | KIF11KCNH2SMN1; SMN2LMNAHTT | |
| SCHEMBL28076974 | 0.86 | KIF11 (0.54) | KIF11KCNH2SMN1; SMN2LMNAHTT | |
| SCHEMBL15212173 | 0.86 | KIF11 (0.68) | KIF11KCNH2ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL4862217 | 0.85 | SMN1; SMN2 (0.59) | KCNH2SMN1; SMN2LMNAKMT2AMEN1 | |
| SCHEMBL28596222 | 0.83 | SMN1; SMN2 (0.55) | KIF11KCNH2ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL28440590 | 0.82 | KIF11 (0.54) | KIF11KCNH2SMN1; SMN2LMNAHTT | |
| SCHEMBL9510215 | 0.79 | KIF11 (0.51) | KIF11KCNH2SMN1; SMN2LMNAHTT | |
| SCHEMBL10877618 | 0.79 | KIF11 (0.73) | KIF11KCNH2ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL7706703 | 0.79 | KIF11 (0.73) | KIF11KCNH2ALDH1A1SMN1; SMN2LMNA |
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 |