Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 4/20 | 0.44 |
| ▸ | METAP1 | P53582 | 2/20 | 0.42 |
| ▸ | HTR5A | P47898 | 3/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19847335 | 0.85 | HTR5A (0.45) | PGRHTR5APKMDRD2CHRM1 | |
| SCHEMBL24727675 | 0.79 | PGR (0.49) | PGRMETAP1CYP17A1RAB9AKDM4E | |
| SCHEMBL11927570 | 0.74 | HTR5A (0.52) | METAP1HTR5AKDM4EALDH1A1POLB | |
| SCHEMBL13199304 | 0.71 | HTR5A (0.47) | METAP1HTR5APOLBPKM | |
| SCHEMBL14071637 | 0.71 | HTR5A (0.46) | METAP1HTR5AKDM4EALDH1A1POLB | |
| SCHEMBL7665011 | 0.69 | PARP10 (0.46) | PGRMETAP1CYP17A1PARP10PARP11 | |
| SCHEMBL577480 | 0.68 | PGR (0.49) | PGRCYP17A1RAB9AKDM4EALDH1A1 | |
| SCHEMBL4897556 | 0.68 | METAP1 (0.57) | METAP1RAB9AKDM4EALDH1A1POLB | |
| SCHEMBL29633547 | 0.68 | METAP1 (0.57) | METAP1RAB9AKDM4EALDH1A1POLB | |
| SCHEMBL11537959 | 0.66 | ROS1 (0.47) | HTR5ARAB9AKDM4EGAAMAPT |
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-2021080997-A1 | 3-(4-(11H-DIBENZO[B,E][1,4]AZEPIN-6-YL)PIPERAZIN-1-YL)- AND 3-(4-(DIBENZO[B,F][1,4]OXAZEPIN/THIAZEPIN/DIAZEPIN-11-YL)PIPERAZIN-1-YL)-PROPANO IC ACID DERIVATIVES AS H1 AND 5-HT2A-RECEPTOR MODULATORS FOR THE TREATMENT OF SLEEP DISORDERS | ALAIRION, INC. (US) | 2021-04-29 | — | — | WO | disclosed |