Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.50 |
| ▸ | HTR2C | P28335 | 3/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 2/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | FLT3 | P36888 | 5/20 | 0.44 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.44 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | KIT | P10721 | 1/20 | 0.44 |
| ▸ | BCR | P11274 | 1/20 | 0.44 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.39 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL31543715 | 0.81 | FLT3 (0.47) | BACE1FLT3PDGFRBABL1KIT | |
| SCHEMBL31543738 | 0.79 | TYR (0.46) | BACE1FLT3PDGFRBABL1KIT | |
| SCHEMBL4563834 | 0.78 | LOXL2 (0.63) | HTR2AHTR2CSLC6A4HTR1AHTR2B | |
| SCHEMBL31190977 | 0.78 | CYP1A2 (0.47) | HTR2AHTR2CHTR1AHTR2BBACE1 | |
| SCHEMBL8570896 | 0.78 | LOXL2 (0.55) | HTR2CLOXL2HRH4MTNR1AMTNR1B | |
| SCHEMBL1980056 | 0.78 | FLT3 (0.50) | BACE1FLT3PDGFRBABL1KIT | |
| SCHEMBL9278047 | 0.77 | GPR84 (0.50) | HTR2CSLC6A4BACE1FLT3PDGFRB | |
| SCHEMBL9009152 | 0.77 | CYP2A6 (0.41) | HTR2AHTR2CHTR1AHTR2BBACE1 | |
| SCHEMBL8482669 | 0.77 | LOXL2 (0.36) | SLC6A4HTR1AHTR2BBACE1LOXL2 | |
| SCHEMBL7161852 | 0.75 | FLT3 (0.52) | BACE1FLT3PDGFRBABL1KIT |
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-110776454-B | Synthesis method of bufotenine and quaternary ammonium salt thereof and application of bufotenine and quaternary ammonium salt thereof in preparation of analgesic and anti-inflammatory drugs | 马宏跃 | 2021-03-23 | — | — | CN | disclosed |
| CN-110776454-A | Synthesis method of bufotenine and quaternary ammonium salt thereof and application of bufotenine and quaternary ammonium salt thereof in preparation of analgesic and anti-inflammatory drugs | 马宏跃 | 2020-02-11 | — | — | CN | disclosed |