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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.37 |
| ▸ | HTR1D known ✓ | P28221 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 15/20 | 0.63 |
| ▸ | OPRM1 | P35372 | 14/20 | 0.48 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.45 |
| ▸ | MELK | Q14680 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | HTR2B | P41595 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR1E | P28566 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2539292 | 0.98 | OPRD1 (0.65) | OPRD1OPRM1ABCB11KCNH2OPRK1 | |
| Hydrochloric Acid SCHEMBL2310717 | 0.96 | OPRD1 (0.63) | OPRD1OPRM1ABCB11KCNH2OPRK1 | |
| SCHEMBL8314711 | 0.91 | OPRD1 (0.58) | OPRD1OPRM1ABCB11KCNH2OPRK1 | |
| SCHEMBL10599177 | 0.91 | OPRD1 (0.58) | OPRD1OPRM1ABCB11KCNH2OPRK1 | |
| SCHEMBL9631918 | 0.91 | OPRD1 (0.58) | OPRD1OPRM1ABCB11KCNH2OPRK1 | |
| SCHEMBL21384863 | 0.89 | OPRD1 (0.61) | OPRD1OPRM1ABCB11KCNH2OPRK1 | |
| Hydrochloric Acid SCHEMBL10600734 | 0.89 | OPRD1 (0.57) | OPRD1OPRM1ABCB11KCNH2OPRK1 | |
| Hydrochloric Acid SCHEMBL10600537 | 0.88 | OPRD1 (0.56) | OPRD1OPRM1ABCB11KCNH2OPRK1 | |
| SCHEMBL7441228 | 0.86 | OPRD1 (0.55) | OPRD1OPRM1ABCB11KCNH2OPRK1 | |
| SCHEMBL22491486 | 0.84 | OPRD1 (0.52) | OPRD1OPRM1ABCB11KCNH2OPRK1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0378255-B1 | 2-Aminopyrimidinone derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1994-04-27 | — | — | EP | disclosed |
| US-5284854-A | Antiserotonin. antihistamine agents; for sleep disorders | JANSSEN PHARMACEUTICA N.V. (BE) | 1994-02-08 | — | — | US | disclosed |
| US-5256659-A | Antiserotonine agents, antihistamines for nervous system disorders or psychological disorders | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-10-26 | — | — | US | disclosed |
| US-5140029-A | Administering for nervous system, sleep or psychotic disorders | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-08-18 | — | — | US | disclosed |
| US-5070087-A | Aryl(alkyland alkylene)-N-((phenoxy and phenylthio)alkyl) aminoheterocyclics as cardiovascular, anthihistaminic, antisecretory and antiallergy agents | A. H. ROBINS COMPANY, INCORPORATED (US) | 1991-12-03 | — | — | US | disclosed |
| US-4950674-A | Arylalkylheterocyclic amines,N-substituted by aryloxyalkyl group in a method for allergy treatment | A. H. ROBINS COMPANY, INCORPORATED (US) | 1990-08-21 | — | — | US | disclosed |
| EP-0378255-A2 | 2-Aminopyrimidinone derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1990-07-18 | — | — | EP | disclosed |
| US-4810713-A | Arylalkyl-heterocyclic amines, n-substituted by aryloxyalkyl groups used in a method for allergy treatment | A. H. ROBINS COMPANY, INCORPORATED (US) | 1989-03-07 | — | — | US | disclosed |
| EP-0235463-A2 | N-substituted-arylalkyl and arylalkylene piperidines as cardiovascular antihistaminic and antisecretory agents | A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) | 1987-09-09 | — | — | EP | disclosed |