Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 11/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 0.34 |
| ▸ | DUT | P33316 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9252921 | 1.00 | SCN9A (0.38) | SCN9ARIPK1HTR2AHTR2CHTR2B | |
| SCHEMBL9255009 | 0.96 | SCN9A (0.36) | SCN9ARIPK1HTR2AHTR2CHTR2B | |
| SCHEMBL9255017 | 0.96 | SCN9A (0.36) | SCN9ARIPK1HTR2AHTR2CHTR2B | |
| SCHEMBL9255020 | 0.96 | SCN9A (0.36) | SCN9ARIPK1HTR2AHTR2CHTR2B | |
| SCHEMBL9254283 | 0.85 | SCN9A (0.38) | SCN9ARIPK1HTR2AHTR2CHTR2B | |
| SCHEMBL9256397 | 0.85 | HTR2A (0.45) | RIPK1HTR2AHTR2CHTR2B | |
| SCHEMBL9256391 | 0.85 | HTR2A (0.45) | RIPK1HTR2AHTR2CHTR2B | |
| SCHEMBL2866899 | 0.82 | RET (0.40) | HTR2AHTR2CHTR2B | |
| SCHEMBL9251122 | 0.82 | SCN9A (0.33) | SCN9ARIPK1HTR2AHTR2CHTR2B | |
| SCHEMBL9251116 | 0.82 | SCN9A (0.33) | SCN9ARIPK1HTR2AHTR2CHTR2B |
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-1995009828-A1 | 2,4,5-TRIFLUOROBENZENES AND THEIR USE IN LIQUID CRYSTAL MIXTURES | MERCK PATENT GMBH (DE) | 1995-04-13 | — | — | WO | disclosed |