Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
The experimentally established mechanism targets of Dotefonium. 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 | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 14/20 | 0.41 |
| ▸ | CHRM2 known ✓ | P08172 | 13/20 | 0.41 |
| ▸ | CHRM1 known ✓ | P11229 | 13/20 | 0.41 |
| ▸ | CHRM4 known ✓ | P08173 | 2/20 | 0.40 |
| ▸ | CHRM5 known ✓ | P08912 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | RGS12 | O14924 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Dotefonium SCHEMBL29387913 | 0.99 | CHRM3 (0.41) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| SCHEMBL14408517 | 0.68 | CHRM3 (0.48) | CHRM3CHRM2CHRM1ALDH1A1POLB | |
| SCHEMBL4620168 | 0.67 | CHRM3 (0.41) | CHRM3CHRM2CHRM1CHRM4ALDH1A1 | |
| SCHEMBL73656 | 0.67 | CHRM3 (0.50) | CHRM3CHRM2CHRM1ALDH1A1POLB | |
| SCHEMBL5964331 | 0.67 | CHRM3 (0.50) | CHRM3CHRM2CHRM1ALDH1A1POLB | |
| SCHEMBL11284831 | 0.67 | CHRM3 (0.50) | CHRM3CHRM2CHRM1ALDH1A1POLB | |
| SCHEMBL74291 | 0.66 | CHRM3 (0.49) | CHRM3CHRM2CHRM1ALDH1A1POLB | |
| Etipirium SCHEMBL29388403 | 0.66 | CHRM2 (0.69) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| Heteronium SCHEMBL668862 | 0.65 | CHRM3 (0.66) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| Etipirium SCHEMBL916033 | 0.65 | CHRM2 (0.67) | CHRM3CHRM2CHRM1CHRM4CHRM5 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8454582-B2 | Methods and devices for the treatment of ocular conditions | SURMODICS, INC. (US) | 2013-06-04 | — | — | US | disclosed |
| US-20110159073-A1 | METHODS AND DEVICES FOR THE TREATMENT OF OCULAR CONDITIONS | DEJUAN EUGENE | 2011-06-30 | — | — | US | disclosed |
| US-20060110428-A1 | Methods and devices for the treatment of ocular conditions | SURMODICS MD, LLC | 2006-05-25 | — | — | US | disclosed |
| WO-2006014484-A2 | METHODS AND DEVICES FOR THE TREATMENT OF OCULAR CONDITIONS | SURMODICS, INC. (US) | 2006-02-09 | — | — | WO | disclosed |
| US-20050002865-A1 | Diagnostic/therapeutic agents | AMERSHAM HEALTH AS (NO) | 2005-01-06 | — | — | US | disclosed |
| US-20040141922-A1 | Diagnostic/therapeutic agents | NYCOMED IMAGING AS | 2004-07-22 | — | — | US | disclosed |
| US-6680047-B2 | FOR USE IN ULTRASOUND IMAGING, CONTRAST AGENTS | AMERSHAM HEALTH AS (NO) | 2004-01-20 | — | — | US | disclosed |
| US-20020102215-A1 | Diagnostic/therapeutic agents | NYCOMED IMAGING AS | 2002-08-01 | — | — | US | disclosed |
| US-20020102217-A1 | Diagnostic/therapeutic agents | NYCOMED IMAGING AS | 2002-08-01 | — | — | US | disclosed |
| US-6331289-B1 | ULTRASOUND CONTRAST AGENTS, SUSPENSION IN AQUEOUS CARRIER LIQUID OF A REPORTER COMPRISING GAS-CONTAINING OR GAS-GENERATING MATERIAL, AGENT CAPABLE OF FORMING AT LEAST TWO TYPES OF BINDING PAIRS WITH TARGET; REPORTER BEING CONJUGATED | NYCOMED IMAGING AS (NO) | 2001-12-18 | — | — | US | disclosed |
| US-6264917-B1 | MIXTURE OF GAS FILLED MICROBUBBLES AND RELEASING AGENT | NYCOMED IMAGING AS (NO) | 2001-07-24 | — | — | US | disclosed |
| US-6261537-B1 | TARGETS AND ULTRASOUND DIAGNOSIS OF ACTIVE MATERIALS, AQUEOUS CARRIER LIQUIDS, CARRIERS AND FILM FORMING SURFACTANT PHOSPHATIDES | NYCOMED IMAGING AS (NO) | 2001-07-17 | — | — | 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 (3 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-20040141922-A1 | Diagnostic/therapeutic agents | BID, FUS, FABP1 | CHRM3 4299/4885CHRM2 4524/4885CHRM1 4575/4885 |
| US-20050002865-A1 | Diagnostic/therapeutic agents | FUS, HNRNPF, HNRNPR | CHRM3 3926/4885CHRM2 4279/4885CHRM1 4394/4885 |
| US-20020102215-A1 | Diagnostic/therapeutic agents | BID, FUS, FABP1 | CHRM3 4193/4885CHRM2 4525/4885CHRM1 4583/4885 |
“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.