Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1412711 | 1.00 | CYP2A6 (0.46) | CYP2A6TDP1L3MBTL1KCNH2LMNA | |
| SCHEMBL915010 | 1.00 | CYP2A6 (0.46) | CYP2A6TDP1L3MBTL1KCNH2LMNA | |
| SCHEMBL4058130 | 1.00 | CYP2A6 (0.46) | CYP2A6TDP1L3MBTL1KCNH2LMNA | |
| SCHEMBL4060780 | 1.00 | CYP2A6 (0.46) | CYP2A6TDP1L3MBTL1KCNH2LMNA | |
| SCHEMBL1067311 | 1.00 | CYP2A6 (0.46) | CYP2A6TDP1L3MBTL1KCNH2LMNA | |
| SCHEMBL6114928 | 1.00 | CYP2A6 (0.46) | CYP2A6TDP1L3MBTL1KCNH2LMNA | |
| SCHEMBL6114275 | 1.00 | CYP2A6 (0.46) | CYP2A6TDP1L3MBTL1KCNH2LMNA | |
| SCHEMBL4062603 | 1.00 | CYP2A6 (0.46) | CYP2A6TDP1L3MBTL1KCNH2LMNA | |
| SCHEMBL3905155 | 1.00 | CYP2A6 (0.46) | CYP2A6TDP1L3MBTL1KCNH2LMNA | |
| Bromide SCHEMBL25252655 | 0.98 | CYP2A6 (0.44) | CYP2A6TDP1L3MBTL1KCNH2LMNA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104211620-B | The autofrettage of bi-quaternary ammonium salt and its intermediate | Wako-chem Industries Co., Ltd. (JP) | 2016-05-25 | — | — | CN | disclosed |
| EP-2821395-A2 | Novel disulfonic acid ester as an additive for an electrolyte for a lithium secondary battery | Wako Pure Chemical Industries, Ltd. (JP) | 2015-01-07 | — | — | EP | disclosed |
| US-8716513-B2 | Process for production of bis-quaternary ammonium salt, and novel intermediate | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2014-05-06 | — | — | US | disclosed |
| EP-2463266-A1 | PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE | Wako Pure Chemical Industries, Ltd. (JP) | 2012-06-13 | — | — | EP | disclosed |
| US-20120130107-A1 | PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2012-05-24 | — | — | US | disclosed |
| EP-1896419-A1 | 3,4-DIHYDROISOQUINOLINIUM SALT DERIVATIVES | HANWHA CHEMICAL CORPORATION (KR) | 2008-03-12 | — | — | EP | disclosed |
| WO-2006129978-A1 | 3,4-DIHYDROISOQUINOLINIUM SALT DERIVATIVES | HANWHA CHEMICAL CORPORATION (KR) | 2006-12-07 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120130107-A1 | PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE | ASS1, C1S, FHIT | CYP2A6 194/4885TDP1 3074/4885L3MBTL1 2236/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.