Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 4/20 | 0.68 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | BLM | P54132 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.48 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.48 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14655824 | 0.86 | ADRA1A (0.54) | ADRA1AADRA2ACYP2D6MEN1KMT2A | |
| Desglymidodrine SCHEMBL6032882 | 0.81 | ADRA1A (1.00) | ADRA1AADRA2ACYP2D6MEN1KMT2A | |
| Desglymidodrine SCHEMBL476432 | 0.81 | ADRA1A (1.00) | ADRA1AADRA2ACYP2D6MEN1KMT2A | |
| Desglymidodrine SCHEMBL29583490 | 0.81 | ADRA1A (1.00) | ADRA1AADRA2ACYP2D6MEN1KMT2A | |
| Desglymidodrine SCHEMBL6031919 | 0.81 | ADRA1A (1.00) | ADRA1AADRA2ACYP2D6MEN1KMT2A | |
| SCHEMBL11660678 | 0.81 | ADRA1A (0.70) | ADRA1AADRA2ACYP2D6MEN1KMT2A | |
| Desglymidodrine SCHEMBL29822558 | 0.81 | ADRA1A (1.00) | ADRA1AADRA2ACYP2D6MEN1KMT2A | |
| SCHEMBL11424531 | 0.81 | ADRA1A (0.70) | ADRA1AADRA2ACYP2D6MEN1KMT2A | |
| Desglymidodrine SCHEMBL6576723 | 0.79 | ADRA1A (0.97) | ADRA1AADRA2ACYP2D6MEN1KMT2A | |
| SCHEMBL28210304 | 0.79 | ADRA1A (0.68) | ADRA1AADRA2ACYP2D6MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2551675-A1 | Deuterium free, stable isotope labeled 2-phenylethylamine hallucinogens and/or stimulants, methods fo their preparation and their use | Chiron AS (NO) | 2013-01-30 | — | — | EP | disclosed |