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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.59 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.59 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.47 |
| ▸ | CXCR4 | P61073 | 17/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.59 |
| ▸ | CCR2 | P41597 | 1/20 | 0.59 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.59 |
| ▸ | BLM | P54132 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL673928 | 0.97 | CXCR4 (0.63) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| SCHEMBL16830450 | 0.79 | KDM4E (0.59) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| Plerixafor SCHEMBL5680189 | 0.79 | CXCR4 (0.93) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| SCHEMBL17929339 | 0.78 | CXCR4 (0.58) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| SCHEMBL2518679 | 0.78 | KDM4E (0.73) | MEN1BLMKMT2ATDP1LMNA | |
| SCHEMBL3994310 | 0.78 | CXCR4 (0.83) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| SCHEMBL10135601 | 0.77 | CXCR4 (0.48) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| Bromide SCHEMBL5675524 | 0.77 | CXCR4 (0.71) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| SCHEMBL947433 | 0.77 | LMNA (0.76) | LMNA | |
| Bromide SCHEMBL9067059 | 0.76 | ACHE (0.60) | LMNASIGMAR1 |
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-RE42152-E1 | Aromatic-linked polyamine macrocyclic compounds with anti-HIV activity | GENZYME CORPORATION (US) | 2011-02-15 | — | — | US | disclosed |
| EP-0619813-B1 | LINKED CYCLIC POLYAMINES WITH ACTIVITY AGAINST HIV | ANORMED INC (CA) | 2004-08-18 | — | — | EP | disclosed |
| EP-1223166-A1 | Linked cyclic polyamines with activity against hiv. | AnorMED Inc. (CA) | 2002-07-17 | — | — | EP | disclosed |
| US-5583131-A | FOR TREATMENT OR PREVENTION OF ACQUIRED IMMUNE DEFICIENCY SYNDROME, REDUCED TOXICITY | JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) | 1996-12-10 | — | — | US | disclosed |