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 | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 3/20 | 0.48 |
| ▸ | CCR1 | P32246 | 7/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3859304 | 0.98 | HTR2C (0.49) | HTR2CCCR1KCNH2DRD2HTR2A | |
| SCHEMBL30529385 | 0.98 | HTR2C (0.49) | HTR2CCCR1KCNH2DRD2HTR2A | |
| Hydrochloric Acid SCHEMBL4214755 | 0.97 | HTR2C (0.48) | HTR2CCCR1KCNH2DRD2HTR2A | |
| SCHEMBL19030798 | 0.86 | HTR2C (0.49) | HTR2CDRD2HTR2ADPP4HDAC3 | |
| SCHEMBL1690952 | 0.86 | HTR2A (0.50) | HTR2CKCNH2DRD2HTR2ADPP4 | |
| SCHEMBL13910956 | 0.82 | KDM4E (0.44) | HTR2CCCR1KCNH2DRD2HTR2A | |
| SCHEMBL30172181 | 0.79 | HTR2C (0.49) | HTR2CCCR1KCNH2DRD2HTR2A | |
| SCHEMBL863663 | 0.79 | HTR2C (0.46) | HTR2CHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL1787224 | 0.79 | HTR2C (0.49) | HTR2CCCR1KCNH2DRD2HTR2A | |
| SCHEMBL12569082 | 0.79 | HDAC3 (0.38) | HTR2CHDAC3HDAC4HDAC1HDAC7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1699791-A1 | NOVEL TRICYCLIC SPIRODERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | AstraZeneca AB (SE) | 2006-09-13 | — | — | EP | disclosed |
| WO-2005061499-A1 | NOVEL TRICYCLIC SPIRODERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | ASTRAZENECA AB (SE) | 2005-07-07 | — | — | WO | disclosed |