Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | THPO | P40225 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.39 |
| ▸ | CHRNA10 | Q9GZZ6 | 2/20 | 0.39 |
| ▸ | CHRNA9 | Q9UGM1 | 2/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8522596 | 0.92 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL8590492 | 0.92 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL3348718 | 0.88 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL17534680 | 0.86 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL17911731 | 0.86 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL2179678 | 0.85 | HTR2C (0.38) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL10768214 | 0.81 | CYP1A2 (0.64) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL2175823 | 0.80 | CYP3A4 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19HRH3 | |
| SCHEMBL1878352 | 0.79 | CHRNA7 (0.39) | CHRNA7CHRNA10CHRNA9 | |
| SCHEMBL1315019 | 0.79 | APP (0.50) | APPMAPTFFAR1FFAR4 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10071982-B2 | Method of treating neuropathic pain | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2018-09-11 | — | — | US | disclosed |
| US-20160340335-A9 | METHOD OF TREATING NEUROPATHIC PAIN | UNIVERSITY OF UTAH (US) | 2016-11-24 | — | — | US | disclosed |
| US-9499518-B2 | Bis-quaternary ammonium salts as pain modulating agents | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2016-11-22 | — | — | US | disclosed |
| US-20160279119-A9 | BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2016-09-29 | — | — | US | disclosed |
| US-8981118-B2 | Process for the preparation of benzodithiophene compounds | ENI S.P.A. (IT) | 2015-03-17 | — | — | US | disclosed |
| US-20140364628-A1 | PROCESS FOR THE PREPARATION OF BENZODITHIOPHENE COMPOUNDS | ENI S.P.A. (IT) | 2014-12-11 | — | — | US | disclosed |
| US-8853425-B2 | Process for the preparation of benzodithiophene compounds | ENI S.P.A. (IT) | 2014-10-07 | — | — | US | disclosed |
| US-20140235874-A1 | PROCESS FOR THE PREPARATION OF BENZODITHIOPHENE COMPOUNDS | ENI S.P.A (IT) | 2014-08-21 | — | — | US | disclosed |
| US-20140155631-A1 | PROCESS FOR THE PREPARATION OF BENZODITHIOPHENE COMPOUNDS | ENI S.P.A. (IT) | 2014-06-05 | — | — | US | disclosed |
| US-20140011836-A1 | METHOD OF TREATING NEUROPATHIC PAIN | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2014-01-09 | — | — | US | disclosed |
| US-20110166177-A1 | BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2011-07-07 | — | — | US | disclosed |
| WO-2007149163-A2 | BIS-QUATERNARY AMMONIUM SALTS AND METHODS FOR MODULATING NEURONAL NICOTINIC ACETYLCHOLINE RECEPTORS | UNIVERSITY OF KENTUCKY (US) | 2007-12-27 | — | — | WO | disclosed |
| WO-2007149163-A2 | BIS-QUATERNARY AMMONIUM SALTS AND METHODS FOR MODULATING NEURONAL NICOTINIC ACETYLCHOLINE RECEPTORS | UNIVERSITY OF KENTUCKY (US) | 2007-12-27 | — | — | WO | disclosed |
| WO-2007076112-A2 | TRIS-QUATERNARY AMMONIUM SALTS AND METHODS FOR MODULATING NEURONAL NICOTINIC ACETYLCHOLINE RECEPTORS | UNIVERSITY OF KENTUCKY (US) | 2007-07-05 | — | — | 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 (7 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-20110166177-A1 | BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS | RELA, FHIT, OPRL1 | CYP1A2 4692/4885CYP3A4 4540/4885CYP2C9 4538/4885 |
| US-10071982-B2 | Method of treating neuropathic pain | INA, GAP43, ACHE | CYP1A2 4459/4885CYP3A4 4701/4885CYP2C9 4529/4885 |
| US-20160340335-A9 | METHOD OF TREATING NEUROPATHIC PAIN | INA, GAP43, ACHE | CYP1A2 4459/4885CYP3A4 4701/4885CYP2C9 4529/4885 |
| US-20140155631-A1 | PROCESS FOR THE PREPARATION OF BENZODITHIOPHENE COMPOUNDS | DDC, DDT, AOC1 | CYP1A2 1723/4885CYP3A4 1438/4885CYP2C9 1682/4885 |
| US-20140364628-A1 | PROCESS FOR THE PREPARATION OF BENZODITHIOPHENE COMPOUNDS | DDC, DLST, HLCS | CYP1A2 1441/4885CYP3A4 541/4885CYP2C9 1105/4885 |
| US-20160279119-A9 | BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS | RELA, FHIT, OPRL1 | CYP1A2 4692/4885CYP3A4 4540/4885CYP2C9 4538/4885 |
| US-20140011836-A1 | METHOD OF TREATING NEUROPATHIC PAIN | INA, GAP43, ACHE | CYP1A2 4459/4885CYP3A4 4701/4885CYP2C9 4529/4885 |
“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.