Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.30 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | GALR3 | O60755 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31085202 | 0.77 | AHR (0.50) | AHRLMNAMAPTHTTBLM | |
| SCHEMBL6601303 | 0.77 | AHR (0.50) | AHRLMNAMAPTHTTBLM | |
| SCHEMBL361525 | 0.77 | TSHR (0.56) | AHRLMNAMAPTHTTBLM | |
| SCHEMBL12046 | 0.77 | AHR (0.50) | AHRLMNAMAPTHTTBLM | |
| SCHEMBL316417 | 0.77 | AHR (0.50) | AHRLMNAMAPTHTTBLM | |
| SCHEMBL7881729 | 0.73 | MAPT (0.55) | LMNAMAPTCA2CA9CA1 | |
| SCHEMBL31085080 | 0.72 | MAPT (0.55) | AHRLMNAMAPTHTTBLM | |
| SCHEMBL6485133 | 0.71 | AHR (0.48) | AHRLMNAMAPTHTTBLM | |
| SCHEMBL12483177 | 0.71 | AHR (0.43) | AHRLMNAMAPTHTTBLM | |
| SCHEMBL31085029 | 0.71 | AHR (0.43) | AHRLMNAMAPTHTTBLM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023081899-A1 | ISOTOPICALLY ENRICHED N-METHYL-1,3-BENZODIOXOLYLBUTANAMINE (MBDB) AND STEREOISOMERS THEREOF | TERRAN BIOSCIENCES, INC. (US) | 2023-05-11 | — | — | WO | disclosed |
| WO-2023081895-A1 | ISOTOPICALLY ENRICHED ANALOGS OF 5,6-METHYLENEDIOXY-2-AMINOINDANE (MDAI) | TERRAN BIOSCIENCES, INC. (US) | 2023-05-11 | — | — | WO | disclosed |
| WO-2023081897-A1 | ISOTOPICALLY ENRICHED 3,4-METHYLENEDIOXY-N-ETHYLAMPHETAMINE (MDE) AND STEREOISOMERS THEREOF | TERRAN BIOSCIENCES, INC. (US) | 2023-05-11 | — | — | WO | disclosed |