Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA3 | P22001 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 2/20 | 0.47 |
| ▸ | HTR1B | P28222 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HTR1D | P28221 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6564405 | 0.83 | KCNA3 (0.56) | KCNA3PKMHTR1BLMNAHTR1D | |
| SCHEMBL11487020 | 0.82 | DRD4 (0.45) | SIGMAR1RAB9A | |
| SCHEMBL15277305 | 0.80 | ALDH1A1 (0.44) | KCNA3PKMHTR1BLMNAHTR1D | |
| SCHEMBL3169811 | 0.80 | LMNA (0.57) | KCNA3PKMHTR1BLMNAHTR1D | |
| SCHEMBL11661699 | 0.80 | KCNA3 (0.52) | KCNA3PKMHTR1BLMNAHTR1D | |
| SCHEMBL4459036 | 0.80 | KCNA3 (0.52) | KCNA3PKMHTR1BLMNAHTR1D | |
| SCHEMBL10228463 | 0.80 | KCNA3 (0.52) | KCNA3PKMHTR1BLMNAHTR1D | |
| SCHEMBL14685192 | 0.79 | KCNA3 (0.47) | KCNA3PKMHTR1BLMNAHTR1D | |
| SCHEMBL3161500 | 0.79 | KCNA3 (0.61) | KCNA3PKMHTR1BHTR1DTAAR1 | |
| SCHEMBL775134 | 0.78 | KCNA3 (0.50) | KCNA3PKMHTR1BLMNAHTR1D |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117645531-A | Preparation method of p-tert-octyl phenoxy ethoxy ethyl chloride | 扬州市普林斯医药科技有限公司 | 2024-03-05 | — | — | CN | disclosed |
| US-6455538-B1 | SODIUM CHANNEL MODULATORS; BRAIN AND NERVOUS SYSTEM DISORDERS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2002-09-24 | — | — | US | disclosed |
| CN-1163885-A | Bactericide modified quaternary ammonium salt and preparation method thereof | NANJING CHEMICAL UNIV (CN) | 1997-11-05 | — | — | CN | disclosed |