Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.35 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | TEC | P42680 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | PRNP | P04156 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | IDH1 | O75874 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL28476716 | 0.89 | RXFP1 (0.31) | HTR3AHRH4RXFP1AMY1A | |
| SCHEMBL22534290 | 0.83 | BACE1 (0.41) | RXFP1AMY1AKDM4EMEN1PRNP | |
| SCHEMBL29154436 | 0.82 | BACE1 (0.35) | KCNK2MEN1KMT2AALDH1A1BACE1 | |
| SCHEMBL22534214 | 0.80 | NQO1 (0.40) | KDM4EHRH3PDE10A | |
| SCHEMBL29154431 | 0.79 | BACE1 (0.39) | BACE1 | |
| SCHEMBL30674503 | 0.79 | BACE1 (0.39) | BACE1 | |
| SCHEMBL22534371 | 0.79 | PRNP (0.50) | RXFP1KDM4EMEN1PRNPKMT2A | |
| SCHEMBL29935543 | 0.79 | PRNP (0.50) | RXFP1KDM4EMEN1PRNPKMT2A | |
| SCHEMBL22534224 | 0.79 | HDAC2 (0.42) | KDM4EPRNPALDH1A1PDE10ACYP1A2 | |
| SCHEMBL22534223 | 0.79 | KDM4E (0.42) | RXFP1KDM4EMEN1PRNPKMT2A |
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-111793025-B | Method for modifying amino in molecule by oxazoline quaternary ammonium salt and application thereof | 中国科学院上海药物研究所 | 2022-09-23 | — | — | CN | disclosed |