Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRNP | P04156 | 8/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 5/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.48 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22534371 | 1.00 | PRNP (0.50) | PRNPRXFP1KMT2AKDM4EMEN1 | |
| SCHEMBL22534212 | 0.83 | PRNP (0.38) | PRNPRXFP1KMT2AKDM4EMEN1 | |
| SCHEMBL29935415 | 0.83 | PRNP (0.38) | PRNPRXFP1KMT2AKDM4EMEN1 | |
| SCHEMBL22534217 | 0.80 | PRNP (0.33) | PRNPRXFP1KMT2AKDM4EMEN1 | |
| SCHEMBL29154450 | 0.80 | TUBB1 (0.39) | PRNPRXFP1KMT2AKDM4EMEN1 | |
| SCHEMBL5188972 | 0.79 | KDM4E (0.51) | PRNPRXFP1KMT2AKDM4ENPSR1 | |
| SCHEMBL22534290 | 0.79 | BACE1 (0.41) | PRNPRXFP1KMT2AKDM4EMEN1 | |
| SCHEMBL29935649 | 0.79 | HTR3A (0.37) | PRNPRXFP1KMT2AKDM4EMEN1 | |
| SCHEMBL29154448 | 0.79 | RELA (0.41) | PRNPKMT2AKDM4EMEN1RAB9A | |
| SCHEMBL19810775 | 0.78 | PRNP (0.57) | PRNPRXFP1KMT2AKDM4EMEN1 |
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 |