Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.45 |
| ▸ | HTR3B | O95264 | 2/20 | 0.45 |
| ▸ | HTR3A | P46098 | 2/20 | 0.45 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.45 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.33 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.31 |
| ▸ | TPMT | P51580 | 1/20 | 0.31 |
| ▸ | GMNN | O75496 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6017223 | 0.86 | CYP2D6 (0.46) | CYP1A2CYP2D6HTR3EHTR3BHTR3A | |
| SCHEMBL9640284 | 0.83 | CHRM2 (0.46) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL1851579 | 0.81 | KMT2A (0.39) | MEN1KMT2AALDH1A1SCN1ASCN2A | |
| Hydrochloric Acid SCHEMBL9378806 | 0.77 | KMT2A (0.39) | CYP2D6MEN1KMT2AHPGDALDH1A1 | |
| SCHEMBL4785273 | 0.74 | NPC1 (0.41) | CYP1A2MEN1CYP2C19KMT2AHPGD | |
| Hydrochloric Acid SCHEMBL9375902 | 0.72 | SMYD3 (0.36) | MEN1KMT2AALDH1A1NPSR1TSHR | |
| SCHEMBL5787516 | 0.72 | ATM (0.41) | CYP1A2MEN1CYP2C19KMT2AHPGD | |
| Hydrochloric Acid SCHEMBL9373976 | 0.72 | CNR2 (0.37) | ALDH1A1SMN1; SMN2LMNA | |
| Hydrochloric Acid SCHEMBL9376143 | 0.70 | RAB9A (0.45) | MEN1KMT2AHPGDALDH1A1NPSR1 | |
| SCHEMBL21219851 | 0.69 | HTR3E (0.54) | CYP1A2CYP2D6HTR3EHTR3BHTR3A |
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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170112829-A1 | USE OF COMPOUNDS BINDING TO THE SIGMA RECEPTOR LIGANDS FOR THE TREATMENT OF NEUROPATHIC PAIN DEVELOPING AS A CONSEQUENCE OF CHEMOTHERAPY | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2017-04-27 | — | — | US | claimed |
| US-20110052723-A1 | USE OF COMPOUNDS BINDING TO THE SIGMA RECEPTOR LIGANDS FOR THE TREATMENT OF NEUROPATHIC PAIN DEVELOPING AS A CONSEQUENCE OF CHEMOTHERAPY | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2011-03-03 | — | — | US | claimed |
| WO-2010101649-A2 | SIGMA 1 RECEPTOR INHIBITION AS A NOVEL THERAPEUTICAL APPROACH AGAINST HEPATITIS C VIRUS INFECTION | GASTAMINZA PABLO (US) | 2010-09-10 | — | — | WO | claimed |
| US-20090325975-A1 | Use of compounds binding to the sigma receptor for the treatment of diabetes-associated pain | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2009-12-31 | — | — | US | claimed |
| EP-2090311-A1 | Use of compounds binding to the sigma receptor ligands for the treatment of neuropathic pain developing as a consequence of chemotherapy | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2009-08-19 | — | — | EP | claimed |
| US-20090042898-A1 | USE OF COMPOUNDS ACTIVE ON THE SIGMA RECEPTOR FOR THE TREATMENT OF MECANICAL ALLODYNIA | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2009-02-12 | — | — | US | claimed |
| EP-1829534-A1 | Use of compounds binding to the sigma receptor for the treatment of metabolic syndrome | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-09-05 | — | — | EP | claimed |
| EP-1787679-A1 | Use of compounds binding to the sigma receptor for the treatment of diabetes-associated pain | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-05-23 | — | — | EP | claimed |
| WO-2001095902-A9 | A COMPOSITION COMPRISING A COMBINATION OF RECEPTOR AGONISTS AND ANTAGONISTS | — | 2002-04-25 | — | — | WO | claimed |
| WO-2001095902-A1 | A COMPOSITION COMPRISING A COMBINATION OF RECEPTOR AGONISTS AND ANTAGONISTS | RESPIRATORIUS AB (SE) | 2001-12-20 | — | — | WO | claimed |
| WO-2001095903-A1 | 5-HT3 RECEPTOR ANTAGONISTS FOR TREATMENT OF DISORDERS INVOLVING AIRWAY CONSTRICTION | RESPIRATORIUS AB (SE) | 2001-12-20 | — | — | WO | claimed |
| EP-2600863-B1 | USE OF SIGMA LIGANDS IN OPIOID-INDUCED HYPERALGESIA | ESTEVE LABOR DR (ES) | 2018-03-28 | — | — | EP | disclosed |
| US-9844516-B2 | Sigma ligands for use in the prevention and/or treatment of post-operative pain | Laboratorios De Dr. Esteve (ES) | 2017-12-19 | — | — | US | disclosed |
| US-9789115-B2 | Use of sigma ligands in opioid-induced hyperalgesia | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2017-10-17 | — | — | US | disclosed |
| US-9782483-B2 | Sigma ligands for the prevention and/or treatment of emesis induced by chemotherapy or radiotherapy | LABORATORIES DEL DR. ESTEVE, S.A. (ES) | 2017-10-10 | — | — | US | disclosed |
| EP-1787679-A1 | Use of compounds binding to the sigma receptor for the treatment of diabetes-associated pain | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-05-23 | — | — | EP | disclosed |
| EP-1660079-A2 | COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A SEROTONIN MODULATING AGENT FOR THE TREATMENT OF NEOPLASIA | Pharmacia Corporation (US) | 2006-05-31 | — | — | EP | disclosed |
| US-20050085477-A1 | Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of neoplasia | PHARMACIA CORPORATION | 2005-04-21 | — | — | US | disclosed |
| WO-2005018569-A2 | COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A SEROTONIN MODULATING AGENT FOR THE TREATMENT OF NEOPLASIA | PHARMACIA CORPORATION (US) | 2005-03-03 | — | — | WO | disclosed |
| WO-2001095902-A9 | A COMPOSITION COMPRISING A COMBINATION OF RECEPTOR AGONISTS AND ANTAGONISTS | — | 2002-04-25 | — | — | 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 (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-20050085477-A1 | Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of neoplasia | TPH2, TPH1, HTR2A | CYP1A2 294/4885CYP2D6 873/4885HTR3E 18/4885 |
| US-20090042898-A1 | USE OF COMPOUNDS ACTIVE ON THE SIGMA RECEPTOR FOR THE TREATMENT OF MECANICAL ALLODYNIA | OPRM1, OPRL1, OPRK1 | CYP1A2 3407/4885CYP2D6 3345/4885HTR3E 164/4885 |
“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.