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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.57 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.57 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.57 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.57 |
| ▸ | ADRB3 known ✓ | P13945 | 1/20 | 0.57 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.57 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.57 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.57 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.57 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.57 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.57 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.57 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.57 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.57 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 17/20 | 0.69 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.69 |
| ▸ | SSTR5 | P35346 | 2/20 | 0.59 |
| ▸ | EED | O75530 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL20128541 | 0.85 | KCNH2 (0.83) | KCNH2NR4A2SSTR5EEDMEN1 | |
| Water SCHEMBL6871853 | 0.84 | KCNH2 (0.52) | KCNH2NR4A2SSTR5EEDMEN1 | |
| Water SCHEMBL9304789 | 0.84 | KCNH2 (0.68) | KCNH2NR4A2SSTR5EEDMEN1 | |
| Water SCHEMBL8561218 | 0.84 | KCNH2 (0.68) | KCNH2NR4A2SSTR5EEDMEN1 | |
| Hydrochloric Acid SCHEMBL4985035 | 0.84 | KCNH2 (0.51) | KCNH2NR4A2SSTR5EEDMEN1 | |
| Bromide SCHEMBL9700607 | 0.83 | KCNH2 (0.63) | KCNH2NR4A2SSTR5EEDMEN1 | |
| Desmetheylastemizole SCHEMBL29601510 | 0.82 | KCNH2 (1.00) | KCNH2NR4A2SSTR5EEDMEN1 | |
| Desmetheylastemizole SCHEMBL1152697 | 0.82 | KCNH2 (1.00) | KCNH2NR4A2SSTR5EEDMEN1 | |
| Desmetheylastemizole SCHEMBL11473379 | 0.81 | KCNH2 (0.98) | KCNH2NR4A2SSTR5EEDMEN1 | |
| Desmetheylastemizole SCHEMBL11473376 | 0.81 | KCNH2 (0.98) | KCNH2NR4A2SSTR5EEDMEN1 |
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-0539421-B1 | NOVEL OXAZOLYL DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 1998-09-23 | — | — | EP | disclosed |
| US-5278165-A | Oxazolyl imidazol[4,5-b]pyridin and pyrimidine compounds | JANSSEN PHARMACEUTICA N.V. (BE) | 1994-01-11 | — | — | US | disclosed |
| US-5217980-A | Antiallergens | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-06-08 | — | — | US | disclosed |