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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 7/20 | 0.68 |
| ▸ | SLC6A3 known ✓ | Q01959 | 7/20 | 0.68 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.66 |
| ▸ | CHRNB4 | P30926 | 6/20 | 0.68 |
| ▸ | CHRNA3 | P32297 | 6/20 | 0.68 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.68 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.68 |
| ▸ | CHRNA1 | P02708 | 4/20 | 0.68 |
| ▸ | CHRNG | P07510 | 4/20 | 0.68 |
| ▸ | CHRNB1 | P11230 | 4/20 | 0.68 |
| ▸ | CHRND | Q07001 | 4/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.66 |
| ▸ | GAA | P10253 | 2/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL1072701 | 0.98 | SLC6A2 (0.69) | SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2 | |
| Hydrochloric Acid SCHEMBL10728832 | 0.97 | SLC6A2 (0.68) | SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2 | |
| SCHEMBL28360223 | 0.96 | SLC6A2 (0.67) | SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2 | |
| SCHEMBL11037118 | 0.96 | SLC6A2 (0.67) | SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2 | |
| Hydrochloric Acid SCHEMBL22614730 | 0.95 | SLC6A2 (0.65) | SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2 | |
| Hydrochloric Acid SCHEMBL28057449 | 0.95 | SLC6A2 (0.65) | SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2 | |
| SCHEMBL6811754 | 0.83 | ALDH1A1 (0.61) | SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2 | |
| SCHEMBL1714913 | 0.81 | SLC6A2 (0.50) | SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2 | |
| SCHEMBL4869220 | 0.81 | OPRD1 (0.53) | SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2 | |
| SCHEMBL9360364 | 0.81 | SLC6A3 (0.60) | SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2 |
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-2702041-A1 | ALKALOID ESTER AND CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF | Chiesi Farmaceutici S.p.A. (IT) | 2014-03-05 | — | — | EP | disclosed |
| WO-2012146515-A1 | ALKALOID ESTER AND CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF | CHIESI FARMACEUTICI S.P.A. (IT) | 2012-11-01 | — | — | WO | disclosed |