Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.52 |
| ▸ | GRM2 | Q14416 | 8/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | METAP1 | P53582 | 1/20 | 0.42 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.42 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.42 |
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | MAP2K3 | P46734 | 1/20 | 0.41 |
| ▸ | MAP2K6 | P52564 | 1/20 | 0.41 |
| ▸ | BTK | Q06187 | 1/20 | 0.41 |
| ▸ | MAP3K19 | Q56UN5 | 1/20 | 0.41 |
| ▸ | NEK10 | Q6ZWH5 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | PRNP | P04156 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 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 | |
|---|---|---|---|---|
| SCHEMBL22694433 | 0.85 | MAOA (0.47) | MAOAMAOBMETAP1NCOA1KMT2A | |
| SCHEMBL27845960 | 0.85 | MAOA (0.47) | MAOAMAOBMETAP1TP53ATM | |
| SCHEMBL20352582 | 0.84 | MAOA (0.45) | MAOAMAOBMETAP1KMT2AATM | |
| Hydrochloric Acid SCHEMBL14842653 | 0.79 | DCPS (0.53) | SCN9AMAOALCKMAP2K3MAP2K6 | |
| SCHEMBL14358666 | 0.79 | HSD17B10 (0.59) | SCN9AGRM2GBA1TP53KMT2A | |
| SCHEMBL31413901 | 0.79 | SCN9A (0.52) | SCN9AGRM2MAOANCOA1NCOA3 | |
| SCHEMBL526900 | 0.78 | KDM4E (0.57) | GBA1TP53KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL14842831 | 0.77 | HSD17B10 (0.58) | SCN9AGRM2GBA1TP53KMT2A | |
| SCHEMBL10986022 | 0.77 | SCN9A (0.76) | SCN9AKMT2A | |
| Bicarbonate SCHEMBL11023181 | 0.76 | MAOA (0.48) | MAOAMAOBMETAP1KMT2AATM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106008373-B | Disubstituted bicyclic derivative and its application as efflux pump inhibitor in antibacterial | 山东大学 | 2019-02-22 | — | — | CN | disclosed |
| CN-106008373-A | Disubstituted bicyclic derivative and application thereof as efflux pump inhibitor to anti-microbial | 山东大学 | 2016-10-12 | — | — | CN | disclosed |