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 | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.35 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.35 |
| ▸ | GABRP | O00591 | 1/20 | 0.35 |
| ▸ | GABRD | O14764 | 1/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.35 |
| ▸ | GABRE | P78334 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.35 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.35 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 SCHEMBL6988261 | 1.00 | GABRA1 (0.35) | GABRA1TSHRGABRG2GABRB3GABRA5 | |
| Bromide SCHEMBL11012723 | 0.97 | — | — | |
| Bromide SCHEMBL4486395 | 0.97 | GABRA5 (0.36) | GABRA1TSHRGABRG2GABRB3GABRA5 | |
| Hydrochloric Acid SCHEMBL28743318 | 0.94 | GABRA1 (0.35) | GABRA1TSHRGABRG2GABRB3GABRA5 | |
| SCHEMBL98342 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL5004461 | 0.92 | GABRA5 (0.36) | GABRA1TSHRGABRG2GABRB3GABRA5 | |
| Hydrochloric Acid SCHEMBL29125446 | 0.92 | GABRA5 (0.36) | GABRA1TSHRGABRG2GABRB3GABRA5 | |
| Hydrochloric Acid SCHEMBL3705988 | 0.92 | — | — | |
| Formic Acid SCHEMBL28916076 | 0.86 | GABRA5 (0.39) | GABRA1TSHRGABRG2GABRB3GABRA5 | |
| SCHEMBL519261 | 0.84 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0588858-B1 | IMIDAZO 2,1-b] 3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE | JANSSEN PHARMACEUTICA NV (BE) | 2003-09-17 | — | — | EP | disclosed |
| EP-0518435-A1 | Imidazo[2,1-b][3]benzazepine derivatives, compositions and method of use | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-12-16 | — | — | EP | disclosed |