Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | CCL2 | P13500 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28520674 | 1.00 | HTR2A (0.43) | HTR2AHTR6KDM1AKDM4ETP53 | |
| SCHEMBL28506975 | 1.00 | HTR2A (0.43) | HTR2AHTR6KDM1AKDM4ETP53 | |
| SCHEMBL20748583 | 0.78 | HTR2A (0.41) | HTR2AHTR6KDM4ETP53CYP3A4 | |
| SCHEMBL21779763 | 0.78 | HTR2A (0.41) | HTR2AHTR6KDM4ETP53CYP3A4 | |
| Hydrochloric Acid SCHEMBL16635699 | 0.77 | HTR2A (0.39) | HTR2AHTR6KDM4EMEN1KMT2A | |
| SCHEMBL21162106 | 0.77 | HTR2A (0.39) | HTR2AHTR6KDM1ACYP3A4HSD17B10 | |
| Hydrochloric Acid SCHEMBL16635702 | 0.77 | HTR2A (0.39) | HTR2AHTR6KDM4EMEN1KMT2A | |
| SCHEMBL22321060 | 0.76 | HTR2A (0.46) | HTR2AHTR6KDM1AKDM4ETP53 | |
| SCHEMBL2404712 | 0.76 | HTR2A (0.46) | HTR2AHTR6KDM1AKDM4ETP53 | |
| SCHEMBL29732957 | 0.76 | HTR2A (0.46) | HTR2AHTR6KDM1AKDM4ETP53 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108863855-B | Method for synthesizing (1R,2S) -1,2-dihydronaphthalene-1, 2-diamine derivative | 云南民族大学 | 2020-12-15 | — | — | CN | disclosed |