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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.48 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.69 |
| ▸ | RAB9A | P51151 | 1/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.64 |
| ▸ | MEN1 | O00255 | 2/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.56 |
| ▸ | LMNA | P02545 | 4/20 | 0.55 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.53 |
| ▸ | MGLL | Q99685 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL230405 | 0.98 | NPC1 (0.71) | NPC1RAB9AKMT2AMEN1CYP2D6 | |
| Hydrochloric Acid SCHEMBL518416 | 0.97 | KMT2A (0.69) | NPC1RAB9AKMT2AMEN1CYP2D6 | |
| SCHEMBL5350433 | 0.86 | NPC1 (0.89) | NPC1RAB9AKMT2AMEN1POLB | |
| SCHEMBL5350428 | 0.86 | NPC1 (0.89) | NPC1RAB9AKMT2AMEN1POLB | |
| SCHEMBL1148371 | 0.86 | NPC1 (0.89) | NPC1RAB9AKMT2AMEN1POLB | |
| SCHEMBL9136904 | 0.83 | NPC1 (0.77) | NPC1RAB9AKMT2AMEN1POLB | |
| SCHEMBL3367257 | 0.83 | NPC1 (0.77) | NPC1RAB9AKMT2AMEN1POLB | |
| Bicarbonate SCHEMBL11475731 | 0.83 | NPC1 (0.83) | NPC1RAB9AKMT2AMEN1POLB | |
| SCHEMBL6208933 | 0.83 | CES2 (0.57) | NPC1RAB9AKMT2AMEN1CYP2D6 | |
| SCHEMBL13944265 | 0.82 | MEN1 (0.66) | NPC1RAB9AKMT2AMEN1CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030144319-A1 | Subtype-selective NMDA receptor ligands and the use thereof | BIGGE CHRISTOPHER F (US) | 2003-07-31 | — | — | US | disclosed |
| US-6534522-B2 | E.g.,N-((4-amino-3-nitrophenoxy)ethyl)-1,2,3,4-tetrahydro -isoquinoline; stroke; antiischemic agents; CNS trauma, hyperglycemic agents; surgery; neurodegenerative diseases including Alzheimer's disease, amyotrophic lateral sclerosis | WARNER-LAMBERT COMPANY | 2003-03-18 | — | — | US | disclosed |
| US-20010051633-A1 | Subtype-selective NMDA receptor ligands and the use thereof | BIGGE CHRISTOPHER F (US) | 2001-12-13 | — | — | US | disclosed |
| US-6218404-B1 | THERAPY AND PROPHYLAXIS OF NEURONAL LOSS ASSOCIATED WITH STROKE, ISCHEMIA, CNS TRAUMA, HYPOGLYCEMIA AND SURGERY, NEURO-DEGENERATIVE DISEASES INCLUDING ALZHEIMER'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS, HUNTINGTON'S DISEASE | WARNER-LAMBERT CO. | 2001-04-17 | — | — | 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 (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-20030144319-A1 | Subtype-selective NMDA receptor ligands and the use thereof | OPRK1, OPRD1, OPRL1 | CHRM2 131/4885CHRM3 197/4885NPC1 965/4885 |
| US-20010051633-A1 | Subtype-selective NMDA receptor ligands and the use thereof | OPRK1, OPRD1, OPRL1 | CHRM2 131/4885CHRM3 197/4885NPC1 965/4885 |
“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.