Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.55 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28076793 | 1.00 | AHR (0.55) | AHRCYP1A1CYP1B1HSD11B1MAOB | |
| SCHEMBL7128923 | 0.89 | CA1 (0.55) | HSD11B1AOC3MEN1KMT2ACA12 | |
| SCHEMBL255255 | 0.87 | CA1 (0.58) | AHRCYP1A1CYP1B1MAOBRAB9A | |
| Hydrogen Sulfide SCHEMBL28878314 | 0.85 | CA1 (0.55) | AHRCYP1A1CYP1B1HSD11B1MAOB | |
| SCHEMBL28076993 | 0.84 | NFE2L2 (0.52) | AHRHSD11B1MAOBRAB9AAOC3 | |
| SCHEMBL28076991 | 0.84 | NFE2L2 (0.52) | AHRHSD11B1MAOBRAB9AAOC3 | |
| SCHEMBL29226395 | 0.82 | SMN1; SMN2 (0.48) | AHRCYP1A1CYP1B1HSD11B1RAB9A | |
| SCHEMBL29226394 | 0.82 | SMN1; SMN2 (0.48) | AHRCYP1A1CYP1B1HSD11B1RAB9A | |
| SCHEMBL9906174 | 0.82 | CA4 (0.52) | AOC3MEN1KMT2ACA12CA1 | |
| SCHEMBL28076770 | 0.82 | ACHE (0.62) | HSD11B1RAB9AAOC3MEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |