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 | 0.36 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.36 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.36 |
| ▸ | ADRB3 known ✓ | P13945 | 1/20 | 0.36 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.36 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.36 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.36 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.36 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.36 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.36 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.36 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.36 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.57 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.57 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.44 |
| ▸ | SSTR5 | P35346 | 7/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9564924 | 0.86 | KCNH2 (0.47) | KCNH2NR4A2SSTR5LMNAGAA | |
| Bromide SCHEMBL9565007 | 0.81 | KCNH2 (0.42) | KCNH2NR4A2SOS1ALDH1A1HRH1 | |
| SCHEMBL4635252 | 0.80 | KCNH2 (0.57) | KCNH2NR4A2SOS1SSTR5LMNA | |
| Bromide SCHEMBL9699462 | 0.78 | KCNH2 (0.72) | KCNH2NR4A2SOS1SSTR5LMNA | |
| SCHEMBL9564827 | 0.75 | SSTR5 (0.44) | KCNH2NR4A2SSTR5LMNAGAA | |
| Bromide SCHEMBL11304724 | 0.74 | KCNH2 (0.78) | KCNH2NR4A2SOS1SSTR5LMNA | |
| Tecastemizole SCHEMBL11278980 | 0.74 | KCNH2 (0.98) | KCNH2NR4A2SOS1SSTR5LMNA | |
| Tecastemizole SCHEMBL9698437 | 0.74 | KCNH2 (0.98) | KCNH2NR4A2SOS1SSTR5LMNA | |
| SCHEMBL9564845 | 0.73 | KCNH2 (0.64) | KCNH2NR4A2SOS1SSTR5LMNA | |
| Hydrochloric Acid SCHEMBL9630081 | 0.73 | KCNH2 (0.67) | KCNH2NR4A2SOS1SSTR5LMNA |
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-5258380-A | Antiallergens, antihistamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-11-02 | — | — | US | disclosed |
| EP-0206415-B1 | (4-PIPERIDINYLMETHYL AND -HETERO)PURINES | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-01-27 | — | — | EP | disclosed |
| US-5041448-A | Antiallergens | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-08-20 | — | — | US | disclosed |
| EP-0206415-A2 | (4-Piperidinylmethyl and -hetero)purines | JANSSEN PHARMACEUTICA N.V. (BE) | 1986-12-30 | — | — | EP | disclosed |