Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3BCHECHRM1CHRM2CHRM3CHRM4CHRNA3CHRNA4CHRNB2CHRNB4ESR1ESR2GABRA1GABRB1GABRG2GBA1GHSRHRH1HTR1DHTR2AMAOBOPRD1OPRK1OPRM1SLC6A2SLC6A3TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8UGCGrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hexamethonium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 3/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | APEX1 | P27695 | 3/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | DNM1 | Q05193 | 6/20 | 0.38 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.37 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hexamethonium SCHEMBL2822866 | 0.94 | MEN1 (0.50) | PMP22LMNATSHRCYP3A4TDP1 | |
| Cetrimonium SCHEMBL5533047 | 0.93 | DNM1 (0.52) | PMP22LMNATSHRCYP3A4TDP1 | |
| Cadaverine Tartrate SCHEMBL8437270 | 0.93 | DNM1 (0.52) | PMP22LMNATSHRCYP3A4TDP1 | |
| Cadaverine Tartrate SCHEMBL8435543 | 0.93 | DNM1 (0.52) | PMP22LMNATSHRCYP3A4TDP1 | |
| Cetrimonium SCHEMBL5533041 | 0.86 | DNM1 (0.58) | PMP22LMNATSHRMEN1KMT2A | |
| Cadaverine Tartrate SCHEMBL8437267 | 0.86 | DNM1 (0.58) | PMP22LMNATSHRMEN1KMT2A | |
| Cadaverine Tartrate SCHEMBL8435538 | 0.86 | DNM1 (0.58) | PMP22LMNATSHRMEN1KMT2A | |
| Cadaverine Tartrate SCHEMBL188002 | 0.84 | LMNA (0.46) | PMP22LMNATSHRCYP3A4TDP1 | |
| Cadaverine Tartrate SCHEMBL2586847 | 0.84 | LMNA (0.46) | PMP22LMNATSHRCYP3A4TDP1 | |
| Cadaverine Tartrate SCHEMBL8435540 | 0.84 | DNM1 (0.60) | PMP22LMNATSHRMEN1KMT2A |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100226855-A1 | Rate-Controlled Oral Dosage Formulations | SPHERICS, INC. (US) | 2010-09-09 | — | — | US | disclosed |
| EP-2086515-A2 | RATE-CONTROLLED BIOADHESIVE ORAL DOSAGE FORMULATIONS | Vaunnex, Inc. (US) | 2009-08-12 | — | — | EP | disclosed |
| US-20080311191-A1 | Multi-Layer Tablets and Bioadhesive Dosage Forms | SPHERICS, INC. | 2008-12-18 | — | — | US | disclosed |
| US-20080260824-A1 | Bioadhesive Rate-Controlled Oral Dosage Formulations | SPHERICS, INC. (US) | 2008-10-23 | — | — | US | disclosed |
| WO-2007103286-A2 | RATE-CONTROLLED BIOADHESIVE ORAL DOSAGE FORMULATIONS | SPHERICS, INC. (US) | 2007-09-13 | — | — | WO | disclosed |
| EP-1784167-A2 | MULTI-LAYER TABLETS AND BIOADHESIVE DOSAGE FORMS | Spherics, Inc. (US) | 2007-05-16 | — | — | EP | disclosed |
| WO-2006031420-A2 | MULTI-LAYER TABLETS AND BIOADHESIVE DOSAGE FORMS | SPHERICS, INC. (US) | 2006-03-23 | — | — | WO | disclosed |
| WO-2006026556-A2 | BIOADHESIVE RATE-CONTROLLED ORAL DOSAGE FORMULATIONS | SPHERICS, INC. (US) | 2006-03-09 | — | — | WO | disclosed |
| EP-1575564-A1 | SOLID DISPERSIONS COMPRISING A HYGROSCOPIC AND/OR DELIQUESCENT DRUG | Pharmacia Corporation (US) | 2005-09-21 | — | — | EP | disclosed |
| EP-1575563-A1 | NON-HYGROSCOPIC FORMULATION COMPRISING A HYDROSCOPIC DRUG | Pharmacia Corporation (US) | 2005-09-21 | — | — | EP | disclosed |
| WO-2004060352-A1 | NON-HYGROSCOPIC FORMULATION COMPRISING A HYDROSCOPIC DRUG | PHARMACIA CORPORATION (US) | 2004-07-22 | — | — | WO | disclosed |
| US-4152524-A | BRONCHODILATORS, HYPOTENSIVE | AMERICAN CYANAMID COMPANY (US) | 1979-05-01 | — | — | US | disclosed |
| US-4094896-A | HYPOTENSIVE AGENTS, BACTERICIDES AND FUNGICIDES | AMERICAN CYANAMID COMPANY (US) | 1978-06-13 | — | — | US | disclosed |
| US-4076947-A | BRONCHODILATORS, HYPOTENSIVE AGENTS, ANTIULCER AGENTS | AMERICAN CYANAMID COMPANY (US) | 1978-02-28 | — | — | US | disclosed |
| US-4074056-A | ANTIMICROBIAL, HYPOTENSIVE, AND ANTIULCER AGENTS, INTERMEDIATES | AMERICAN CYANAMID COMPANY (US) | 1978-02-14 | — | — | US | disclosed |
| US-4054604-A | MICROBIOCIDES, HYPOTENSIVE AGENTS | AMERICAN CYANAMID COMPANY (US) | 1977-10-18 | — | — | US | disclosed |
| US-4044043-A | HYPERTENSIVE AGENTS, MICROBIOCIDES | AMERICAN CYANAMID COMPANY (US) | 1977-08-23 | — | — | US | disclosed |
| US-4018811-A | MICROBIOCIDES, ANTIULCER, HYPOTENSIVE AGENTS | AMERICAN CYANAMID COMPANY (US) | 1977-04-19 | — | — | US | disclosed |
| US-4006179-A | HYPOTENSIVE AGENTS, MICROBIOCIDES | AMERICAN CYANAMID COMPANY (US) | 1977-02-01 | — | — | US | disclosed |
| US-3981868-A | MICROBIOCIDES, HYPOTENSIVE AGENTS | AMERICAN CYANAMID COMPANY (US) | 1976-09-21 | — | — | US | 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 (2 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-20080260824-A1 | Bioadhesive Rate-Controlled Oral Dosage Formulations | SORD, FHIT, ABCB1 | ACHE 1253/4885PMP22 1844/4885LMNA 3443/4885 |
| US-20100226855-A1 | Rate-Controlled Oral Dosage Formulations | ABCB1, SLC47A2, CYP2D6 | ACHE 1233/4885PMP22 1691/4885LMNA 3764/4885 |
“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.