Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.44 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.44 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 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 | |
|---|---|---|---|---|
| SCHEMBL29785696 | 0.89 | POLB (0.43) | CHRM2CHRM1CACNA2D1CACNA1BCACNB1 | |
| SCHEMBL28788132 | 0.89 | POLB (0.43) | CHRM2CHRM1CACNA2D1CACNA1BCACNB1 | |
| SCHEMBL29785758 | 0.84 | ACHE (0.40) | CACNA2D1CACNA1BCACNB1OPRM1OPRD1 | |
| SCHEMBL28355931 | 0.84 | ACHE (0.40) | CACNA2D1CACNA1BCACNB1OPRM1OPRD1 | |
| SCHEMBL28944933 | 0.78 | SLC6A4 (0.49) | CACNA2D1CACNA1BCACNB1OPRM1OPRD1 | |
| SCHEMBL29785705 | 0.76 | SLC6A2 (0.55) | CACNA2D1CACNA1BCACNB1SLC6A2SLC6A4 | |
| SCHEMBL28788134 | 0.76 | SLC6A2 (0.55) | CACNA2D1CACNA1BCACNB1SLC6A2SLC6A4 | |
| SCHEMBL5488053 | 0.76 | CXCR4 (0.46) | CHRM2CHRM1CACNA2D1CACNA1BCACNB1 | |
| SCHEMBL28788127 | 0.74 | SMAD3 (0.42) | CHRM2CACNA2D1CACNA1BCACNB1OPRM1 | |
| SCHEMBL21788564 | 0.74 | TDP1 (0.47) | HTR3EHTR3BADRB1HTR3AHTR3D |
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-110467597-B | Aralkyl cyclamine derivatives and application thereof in multi-target anti-depression drugs | 上海医药工业研究院 | 2022-07-12 | — | — | CN | disclosed |
| CN-110467597-A | Aralkyl cyclammonium analog derivative and its application in multiple target point anti-depression drug | SHANGHAI INST PHARMACEUTICAL IND | 2019-11-19 | — | — | CN | disclosed |