Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.71 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.42 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.42 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL6373609 | 1.00 | — | — | |
| SCHEMBL82264 | 0.97 | — | — | |
| SCHEMBL7672268 | 0.97 | — | — | |
| SCHEMBL476405 | 0.94 | ALOX15 (0.71) | ALOX15HRH3L3MBTL1CARM1PRMT6 | |
| Hydrochloric Acid SCHEMBL7021996 | 0.94 | ALOX15 (0.71) | ALOX15HRH3L3MBTL1CARM1PRMT6 | |
| SCHEMBL5143305 | 0.94 | ALOX15 (0.71) | ALOX15HRH3L3MBTL1CARM1PRMT6 | |
| Hydrochloric Acid SCHEMBL9031336 | 0.94 | ALOX15 (0.71) | ALOX15HRH3L3MBTL1CARM1PRMT6 | |
| SCHEMBL5663473 | 0.94 | ALOX15 (0.71) | ALOX15HRH3L3MBTL1CARM1PRMT6 | |
| SCHEMBL6180747 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL73680 | 0.94 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| US-20130324535-A1 | USE OF SIGMA LIGANDS IN BONE CANCER PAIN | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2013-12-05 | — | — | US | disclosed |
| EP-2646025-A1 | USE OF SIGMA LIGANDS IN BONE CANCER PAIN | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2013-10-09 | — | — | EP | disclosed |
| US-20130158033-A1 | USE OF SIGMA LIGANDS IN OPIOID-INDUCED HYPERALGESIA | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2013-06-20 | — | — | US | disclosed |
| EP-2600863-A2 | USE OF SIGMA LIGANDS IN OPIOID-INDUCED HYPERALGESIA | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2013-06-12 | — | — | EP | disclosed |
| US-20130109692-A1 | SIGMA LIGANDS FOR THE PREVENTION AND/OR TREATMENT OF EMESIS INDUCED BY CHEMOTHERAPY OR RADIOTHERAPY | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2013-05-02 | — | — | US | disclosed |
| EP-2571501-A1 | SIGMA LIGANDS FOR THE PREVENTION AND/OR TREATMENT OF EMESIS INDUCED BY CHEMOTHERAPY OR RADIOTHERAPY | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2013-03-27 | — | — | EP | disclosed |
| EP-2531191-A1 | SIGMA LIGANDS FOR USE IN THE PREVENTION AND/OR TREATMENT OF POSTOPERATIVE PAIN | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2012-12-12 | — | — | EP | disclosed |
| US-20120302568-A1 | SIGMA LIGANDS FOR USE IN THE PREVENTION AND/OR TREATMENT OF POST-OPERATIVE PAIN | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2012-11-29 | — | — | US | disclosed |
| WO-2012072782-A1 | USE OF SIGMA LIGANDS IN BONE CANCER PAIN | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2012-06-07 | — | — | WO | disclosed |
| WO-2012016980-A2 | USE OF SIGMA LIGANDS IN OPIOID-INDUCED HYPERALGESIA | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2012-02-09 | — | — | 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 (4 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-20120302568-A1 | SIGMA LIGANDS FOR USE IN THE PREVENTION AND/OR TREATMENT OF POST-OPERATIVE PAIN | OPRL1, OPRK1, SIGMAR1 | SIGMAR1 3/4885ALOX15 402/4885HRH3 59/4885 |
| US-20130158033-A1 | USE OF SIGMA LIGANDS IN OPIOID-INDUCED HYPERALGESIA | OPRL1, OPRK1, OPRM1 | SIGMAR1 5/4885ALOX15 737/4885HRH3 35/4885 |
| US-20130109692-A1 | SIGMA LIGANDS FOR THE PREVENTION AND/OR TREATMENT OF EMESIS INDUCED BY CHEMOTHERAPY OR RADIOTHERAPY | SIGMAR1, SFN, TMEM97 | SIGMAR1 1/4885ALOX15 2981/4885HRH3 49/4885 |
| US-20130324535-A1 | USE OF SIGMA LIGANDS IN BONE CANCER PAIN | SIGMAR1, OPRL1, OPRK1 | SIGMAR1 1/4885ALOX15 1980/4885HRH3 465/4885 |
“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.