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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 20/20 | 0.97 |
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.95 |
| ▸ | TP53 | P04637 | 2/20 | 0.97 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.97 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.97 |
| ▸ | TSHR | P16473 | 2/20 | 0.97 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.95 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.95 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.95 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.95 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.95 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.95 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.95 |
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 | |
|---|---|---|---|---|
| SCHEMBL678162 | 0.99 | SIGMAR1 (1.00) | SIGMAR1TP53CYP1A2CYP2D6TSHR | |
| SCHEMBL12648455 | 0.97 | SIGMAR1 (1.00) | SIGMAR1TP53CYP1A2CYP2D6TSHR | |
| SCHEMBL467014 | 0.82 | SIGMAR1 (1.00) | SIGMAR1TP53CYP1A2CYP2D6TSHR | |
| SCHEMBL5804316 | 0.79 | SIGMAR1 (0.93) | SIGMAR1TP53CYP1A2CYP2D6TSHR | |
| SCHEMBL2132007 | 0.78 | SIGMAR1 (0.65) | SIGMAR1TP53CYP1A2CYP2D6TSHR | |
| Bromide SCHEMBL31601130 | 0.77 | SIGMAR1 (0.97) | SIGMAR1TP53CYP1A2CYP2D6TSHR | |
| Bromide SCHEMBL1780137 | 0.77 | SIGMAR1 (0.97) | SIGMAR1TP53CYP1A2CYP2D6TSHR | |
| SCHEMBL5935280 | 0.77 | SIGMAR1 (0.80) | SIGMAR1TP53CYP1A2CYP2D6TSHR | |
| SCHEMBL7536460 | 0.77 | SIGMAR1 (1.00) | SIGMAR1TP53CYP1A2CYP2D6TSHR | |
| SCHEMBL16992736 | 0.76 | SIGMAR1 (1.00) | SIGMAR1TP53CYP1A2CYP2D6TSHR |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2600863-B1 | USE OF SIGMA LIGANDS IN OPIOID-INDUCED HYPERALGESIA | ESTEVE LABOR DR (ES) | 2018-03-28 | — | — | EP | disclosed |
| EP-2646025-B1 | USE OF SIGMA LIGANDS IN BONE CANCER PAIN | ESTEVE LABOR DR (ES) | 2017-03-15 | — | — | EP | disclosed |
| EP-2531191-B1 | Sigma ligands for use in the prevention and/or treatment of postoperative pain | ESTEVE LABOR DR (ES) | 2016-03-30 | — | — | EP | disclosed |
| EP-2571501-B1 | SIGMA LIGANDS FOR THE PREVENTION AND/OR TREATMENT OF EMESIS INDUCED BY CHEMOTHERAPY OR RADIOTHERAPY | ESTEVE LABOR DR (ES) | 2016-03-02 | — | — | EP | disclosed |
| EP-2460519-A1 | Use of sigma ligands in bone cancer pain | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2012-06-06 | — | — | EP | disclosed |
| EP-2415471-A1 | Use of sigma ligands in opioid-induced hyperalgesia | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2012-02-08 | — | — | EP | disclosed |
| EP-2388005-A1 | Sigma ligands for the prevention and/or treatment of emesis induced by chemotherapy or radiotherapy | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2011-11-23 | — | — | EP | disclosed |
| EP-2353598-A1 | Sigma ligands for use in the prevention and/or treatment of postoperative pain | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2011-08-10 | — | — | EP | disclosed |