Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | HTR7 | P34969 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | CASP6 | P55212 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27899659 | 0.85 | MAOA (0.43) | MAOAHTR1AHTR7POLBNPC1 | |
| SCHEMBL313560 | 0.84 | MAOA (0.46) | MAOAHTR1AHTR7POLBNPC1 | |
| SCHEMBL31497079 | 0.83 | HSP90AA1 (0.46) | CNR1CYP1A2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL25593987 | 0.82 | CASP6 (0.44) | CNR1MAOAHTR1AHTR7NPC1 | |
| SCHEMBL23764966 | 0.81 | CNR1 (0.40) | CNR1HTR1AHTR7SLC6A4L3MBTL1 | |
| SCHEMBL28004757 | 0.80 | MAOA (0.54) | MAOAPTGS1POLBNPC1TP53 | |
| SCHEMBL28590556 | 0.78 | MAOA (0.41) | MAOAHTR1AHTR7PTGS1POLB | |
| SCHEMBL28296350 | 0.78 | PNMT (0.47) | CNR1HTR1AHTR7CYP1A2PTGS2 | |
| SCHEMBL28004759 | 0.78 | MAOA (0.52) | MAOAHTR1APTGS1POLBNPC1 | |
| SCHEMBL1480245 | 0.77 | ABL1 (0.50) | HTR1AHTR7NPC1TP53RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020127145-A2 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2020-06-25 | — | — | WO | disclosed |