Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 5/20 | 0.52 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1709217 | 0.88 | SCN9A (0.48) | SCN9ALMNAHTR2AHTR2CHTR2B | |
| SCHEMBL1709251 | 0.81 | SCN9A (0.54) | SCN9ACXCR4KDM4EMAPTACHE | |
| SCHEMBL10071960 | 0.77 | SCN9A (0.49) | SCN9ACXCR4KDM4EMAPTTP53 | |
| SCHEMBL1709240 | 0.77 | SCN9A (0.60) | SCN9AKDM4ECYP2D6MAPK1MEN1 | |
| SCHEMBL1709237 | 0.75 | SCN9A (0.58) | SCN9AHTR2A | |
| SCHEMBL10072038 | 0.73 | SCN9A (0.53) | SCN9ALMNACYP2D6CHRM4MAPK1 | |
| SCHEMBL1709241 | 0.73 | SCN9A (0.54) | SCN9AKDM4ECYP2D6MAPK1CYP3A4 | |
| SCHEMBL10071959 | 0.72 | CCR3 (0.51) | SCN9AMEN1CYP3A4KMT2AUSP2 | |
| SCHEMBL1709252 | 0.69 | SCN9A (0.56) | SCN9ALMNAMEN1KMT2A | |
| SCHEMBL1709238 | 0.69 | SCN9A (0.59) | SCN9ALMNAPOLBMAPTKMT2A |
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-2012047703-A2 | CYCLOPROPYL-SPIRO-PIPERIDINES USEFUL AS SODIUM CHANNEL BLOCKERS | SCHERING CORPORATION (US) | 2012-04-12 | — | — | WO | disclosed |