Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | PGK1 | P00558 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ACAT1 | P24752 | 1/20 | 0.42 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | APLNR | P35414 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14376631 | 0.87 | CASP3 (0.47) | PGK1KDM4EMAPTCYP3A4TP53 | |
| SCHEMBL24381722 | 0.83 | CA12 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29077417 | 0.78 | CYP1A2 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10437081 | 0.78 | CA12 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL20969663 | 0.77 | TAAR1 (0.47) | PGK1MAPTALDH1A1KCNH2CACNA1C | |
| SCHEMBL3192483 | 0.77 | ALDH1A1 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14655673 | 0.76 | CYP1A2 (0.50) | PGK1KDM4ECYP1A2 | |
| SCHEMBL23030376 | 0.76 | CA1 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10687263 | 0.75 | MAPT (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2093561 | 0.75 | ALDH1A1 (0.48) | CA12CA1CA2CA7CA9 |
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 |