Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | TUBB4A | P04350 | 3/20 | 0.42 |
| ▸ | TUBB | P07437 | 3/20 | 0.42 |
| ▸ | TUBA3C | P0DPH7 | 3/20 | 0.42 |
| ▸ | TUBA1B | P68363 | 3/20 | 0.42 |
| ▸ | TUBA4A | P68366 | 3/20 | 0.42 |
| ▸ | TUBB4B | P68371 | 3/20 | 0.42 |
| ▸ | TUBB3 | Q13509 | 3/20 | 0.42 |
| ▸ | TUBB2A | Q13885 | 3/20 | 0.42 |
| ▸ | TUBB8 | Q3ZCM7 | 3/20 | 0.42 |
| ▸ | TUBA3E | Q6PEY2 | 3/20 | 0.42 |
| ▸ | TUBA1A | Q71U36 | 3/20 | 0.42 |
| ▸ | TUBA1C | Q9BQE3 | 3/20 | 0.42 |
| ▸ | TUBB6 | Q9BUF5 | 3/20 | 0.42 |
| ▸ | TUBB2B | Q9BVA1 | 3/20 | 0.42 |
| ▸ | TUBB1 | Q9H4B7 | 3/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | PGK1 | P00558 | 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 | |
|---|---|---|---|---|
| SCHEMBL31377084 | 0.79 | KMT2A (0.54) | MEN1KMT2AKDM4EPDE4BPDE4D | |
| SCHEMBL31377083 | 0.79 | KMT2A (0.54) | MEN1KMT2AKDM4EPDE4BPDE4D | |
| SCHEMBL2498219 | 0.79 | KMT2A (0.54) | MEN1KMT2AKDM4EPDE4BPDE4D | |
| SCHEMBL18482185 | 0.79 | CYP1A2 (0.50) | CYP1A2TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL14655822 | 0.76 | CA12 (0.46) | CYP1A2PGK1KDM4E | |
| SCHEMBL3372005 | 0.76 | ALDH1A1 (0.57) | CYP1A2CYP1A1CYP1B1KMT2AKDM4E | |
| SCHEMBL686849 | 0.75 | CYP1A2 (0.64) | CYP1A2TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL10044958 | 0.75 | CYP1A2 (0.65) | CYP1A2TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL5294640 | 0.74 | CYP1A2 (0.46) | CYP1A2CYP1A1CYP1B1MEN1KMT2A | |
| SCHEMBL14655684 | 0.74 | PGK1 (0.52) | PTGS2PGK1MEN1KMT2AKDM4E |
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 |