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 | 0.38 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.38 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.38 |
| ▸ | ADRB3 known ✓ | P13945 | 1/20 | 0.38 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.38 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.38 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.38 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.38 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.38 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.38 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.38 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.38 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.60 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.60 |
| ▸ | SSTR5 | P35346 | 6/20 | 0.44 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.40 |
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 SCHEMBL9698211 | 1.00 | KCNH2 (0.60) | KCNH2NR4A2SSTR5SOS1IRAK4 | |
| Bromide SCHEMBL9630122 | 0.94 | KCNH2 (0.53) | KCNH2NR4A2SSTR5MKNK1LMNA | |
| Bromide SCHEMBL9630117 | 0.94 | KCNH2 (0.53) | KCNH2NR4A2SSTR5MKNK1LMNA | |
| Bromide SCHEMBL9630112 | 0.93 | KCNH2 (0.54) | KCNH2NR4A2SSTR5SOS1MKNK1 | |
| Bromide SCHEMBL9697202 | 0.83 | KCNH2 (0.65) | KCNH2NR4A2SSTR5SOS1IRAK4 | |
| Bromide SCHEMBL9697166 | 0.82 | SSTR5 (0.52) | KCNH2NR4A2SSTR5LMNAGAA | |
| SCHEMBL7392534 | 0.82 | KCNH2 (0.66) | KCNH2NR4A2SSTR5SOS1IRAK4 | |
| SCHEMBL4984732 | 0.81 | SSTR5 (0.52) | KCNH2NR4A2SSTR5LMNAGAA | |
| Hydrochloric Acid SCHEMBL4984514 | 0.81 | KCNH2 (0.65) | KCNH2NR4A2SSTR5SOS1IRAK4 | |
| Hydrochloric Acid SCHEMBL9304236 | 0.81 | KCNH2 (0.59) | KCNH2NR4A2SSTR5SOS1LMNA |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE33833-E | Intermediates for antihistamines, antiserotonine agents | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-02-25 | — | — | US | disclosed |
| US-5006527-A | Antihistamines, antiallergens | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-04-09 | — | — | US | disclosed |
| EP-0151824-B1 | N-(4-PIPERIDINYL) BICYCLIC CONDENSED 2-IMIDAZOLAMINE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1990-04-04 | — | — | EP | disclosed |
| US-4897401-A | N-(4-piperidinyl) bicyclic condensed 2-imidazolamine derivatives useful in treating allergic diseases | JANSSEN PHARMACEUTICAL N.V. (BE) | 1990-01-30 | — | — | US | disclosed |
| US-4820822-A | ANTIHISTAMINE, ANTISEROTONINE AGENTS | JANSSEN PHARMACEUTICA (BE) | 1989-04-11 | — | — | US | disclosed |
| US-4760074-A | Novel-N-(bicyclic heterocyclyl)-4-piperidinamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1988-07-26 | — | — | US | disclosed |
| EP-0099139-B1 | NOVEL N-(BICYCLIC HETEROCYCLYL)-4-PIPERIDINAMINES | JANSSEN PHARMACEUTICA N.V. (BE) | 1987-02-11 | — | — | EP | disclosed |
| US-4588722-A | ANTIHISTAMINES, ANTIALLERGENS | JANSSEN PHARMACEUTICA N.V. (BE) | 1986-05-13 | — | — | US | disclosed |
| US-4556660-A | ANTIALLERGENS | JANSSEN PHARMACEUTICA N.V. (BE) | 1985-12-03 | — | — | US | disclosed |
| EP-0151824-A2 | N-(4-piperidinyl) bicyclic condensed 2-imidazolamine derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1985-08-21 | — | — | EP | disclosed |
| EP-0099139-A2 | Novel N-(bicyclic heterocyclyl)-4-piperidinamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1984-01-25 | — | — | EP | disclosed |