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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 6/20 | 0.48 |
| ▸ | TACR2 | P21452 | 1/20 | 0.48 |
| ▸ | TACR1 | P25103 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.47 |
| ▸ | SSTR5 | P35346 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL9536723 | 1.00 | HRH1 (0.48) | HRH1TACR2TACR1RAB9AKCNH2 | |
| SCHEMBL9540172 | 0.88 | TP53 (0.53) | HRH1TACR2TACR1RAB9AKCNH2 | |
| Oxalic Acid SCHEMBL9536322 | 0.86 | TP53 (0.53) | HRH1TACR2TACR1RAB9AKCNH2 | |
| Oxalic Acid SCHEMBL10547004 | 0.86 | TP53 (0.53) | HRH1TACR2TACR1RAB9AKCNH2 | |
| SCHEMBL9537554 | 0.85 | HRH1 (0.63) | HRH1TACR2TACR1RAB9AKCNH2 | |
| Hydrochloric Acid SCHEMBL9539517 | 0.84 | HRH1 (0.62) | HRH1TACR2TACR1RAB9AKCNH2 | |
| Bromide SCHEMBL9739899 | 0.83 | SSTR5 (0.70) | HRH1TACR2TACR1KCNH2NR4A2 | |
| Hydrochloric Acid SCHEMBL9537670 | 0.83 | RAB9A (0.55) | HRH1TACR2TACR1RAB9AKCNH2 | |
| SCHEMBL9536663 | 0.83 | RAB9A (0.55) | HRH1TACR2TACR1RAB9AKCNH2 | |
| SCHEMBL9537249 | 0.82 | SCN9A (0.53) | HRH1TACR2TACR1RAB9AKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0151826-B1 | 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-03-31 | — | — | EP | disclosed |
| US-4839374-A | TREATING ALLERGIES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1989-06-13 | — | — | US | disclosed |
| US-4695575-A | ANTIHISTAMINES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1987-09-22 | — | — | US | disclosed |
| EP-0151826-A1 | 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1985-08-21 | — | — | EP | disclosed |