Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 3/20 | 0.38 |
| ▸ | HTR2B | P41595 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL26766106 | 0.77 | KDM4E (0.42) | TAAR1KDM4EALDH1A1HTR6 | |
| SCHEMBL337063 | 0.75 | ALDH1A1 (0.60) | TAAR1HTR2CHTR2BHTR2AKDM4E | |
| SCHEMBL25043852 | 0.75 | ALDH1A1 (0.60) | TAAR1HTR2CHTR2BHTR2AKDM4E | |
| Hydrochloric Acid SCHEMBL29792081 | 0.73 | ALDH1A1 (0.58) | TAAR1HTR2CHTR2BHTR2AKDM4E | |
| Hydrochloric Acid SCHEMBL26110115 | 0.73 | ALDH1A1 (0.58) | TAAR1HTR2CHTR2BHTR2AKDM4E | |
| Hydrochloric Acid SCHEMBL26110112 | 0.73 | ALDH1A1 (0.58) | TAAR1HTR2CHTR2BHTR2AKDM4E | |
| SCHEMBL16610511 | 0.73 | ALDH1A1 (0.47) | TAAR1HTR2CHTR2BHTR2AKDM4E | |
| SCHEMBL12536017 | 0.72 | SLC18A3 (0.53) | TAAR1KDM4EALDH1A1HTR6 | |
| SCHEMBL30337226 | 0.72 | HTR2C (0.42) | HTR2CHTR2BHTR2AALDH1A1 | |
| SCHEMBL16931754 | 0.71 | TAAR1 (0.39) | TAAR1HTR2CHTR2BHTR2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013049164-A1 | SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS | ABBVIE INC. (US) | 2013-04-04 | — | — | WO | disclosed |