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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 2/20 | 0.83 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.74 |
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | HTT | P42858 | 1/20 | 0.68 |
| ▸ | NPC1 | O15118 | 1/20 | 0.64 |
| ▸ | RAB9A | P51151 | 1/20 | 0.64 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.62 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.62 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.62 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.62 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.62 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.62 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.62 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.62 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.62 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.62 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.61 |
| ▸ | DRD2 | P14416 | 2/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL1002854 | 0.98 | NAAA (0.86) | NAAASMN1; SMN2TSHRHTTNPC1 | |
| SCHEMBL9503009 | 0.96 | NAAA (0.83) | NAAASMN1; SMN2TSHRHTTNPC1 | |
| Hydrochloric Acid SCHEMBL15954598 | 0.96 | NAAA (0.83) | NAAASMN1; SMN2TSHRHTTNPC1 | |
| SCHEMBL1003680 | 0.93 | NAAA (0.96) | NAAASMN1; SMN2TSHRHTTNPC1 | |
| SCHEMBL17835142 | 0.91 | NAAA (0.76) | NAAASMN1; SMN2TSHRHTTNPC1 | |
| SCHEMBL1003239 | 0.91 | NAAA (1.00) | NAAASMN1; SMN2HTTNPC1RAB9A | |
| SCHEMBL8204741 | 0.91 | NAAA (1.00) | NAAASMN1; SMN2HTTNPC1RAB9A | |
| SCHEMBL1004555 | 0.91 | NAAA (1.00) | NAAASMN1; SMN2HTTNPC1RAB9A | |
| SCHEMBL421014 | 0.91 | NAAA (1.00) | NAAASMN1; SMN2HTTNPC1RAB9A | |
| Hydrochloric Acid SCHEMBL11612942 | 0.91 | NAAA (0.93) | NAAASMN1; SMN2TSHRHTTNPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1465889-A4 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC (CA) | 2008-05-14 | — | — | EP | disclosed |
| EP-1465889-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | AnorMED Inc. (CA) | 2004-10-13 | — | — | EP | disclosed |
| WO-2003055876-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC. (CA) | 2003-07-10 | — | — | WO | disclosed |