Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.39 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28076976 | 1.00 | NPC1 (0.45) | NPC1RAB9ASMN1; SMN2NFE2L2CA12 | |
| SCHEMBL6120546 | 0.86 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2NFE2L2CA12 | |
| Fenocinol SCHEMBL2110781 | 0.84 | CA12 (0.44) | NPC1RAB9ASMN1; SMN2CA12CA1 | |
| SCHEMBL15164794 | 0.83 | CA12 (0.56) | NPC1RAB9ASMN1; SMN2NFE2L2CA12 | |
| SCHEMBL24060343 | 0.80 | ALDH1A1 (0.43) | NPC1RAB9ASMN1; SMN2NFE2L2CA12 | |
| SCHEMBL28076993 | 0.80 | NFE2L2 (0.52) | NPC1RAB9ASMN1; SMN2NFE2L2CA12 | |
| SCHEMBL28076991 | 0.80 | NFE2L2 (0.52) | NPC1RAB9ASMN1; SMN2NFE2L2CA12 | |
| SCHEMBL28076776 | 0.78 | CASR (0.48) | NPC1RAB9ASMN1; SMN2CA12CA1 | |
| SCHEMBL28076774 | 0.78 | CASR (0.48) | NPC1RAB9ASMN1; SMN2CA12CA1 | |
| SCHEMBL9115762 | 0.77 | CA12 (0.54) | NPC1NFE2L2CA12CA1CA2 |
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 |