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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 SCHEMBL6988222 | 0.97 | GAA (0.56) | HSD17B10GAAALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL165228 | 0.97 | — | — | |
| SCHEMBL10942934 | 0.94 | GAA (0.58) | HSD17B10GAAALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL5499056 | 0.94 | GAA (0.58) | HSD17B10GAAALDH1A1SMN1; SMN2CYP1A2 | |
| Hydrochloric Acid SCHEMBL1375922 | 0.94 | HSD17B10 (0.56) | HSD17B10GAAALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL2291856 | 0.94 | HSD17B10 (0.56) | HSD17B10GAAALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL15150 | 0.94 | GAA (0.58) | HSD17B10GAAALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL9174370 | 0.94 | GAA (0.58) | HSD17B10GAAALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL8719367 | 0.94 | HSD17B10 (0.56) | HSD17B10GAAALDH1A1SMN1; SMN2CYP1A2 | |
| Bromide SCHEMBL6987599 | 0.92 | HSD17B10 (0.54) | HSD17B10GAAALDH1A1SMN1; SMN2CYP1A2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115160397-B | Androstane derivatives, preparation method and application thereof | 天津红日药业股份有限公司 | 2023-08-01 | — | — | CN | disclosed |
| CN-115160397-A | Androstane derivative and preparation method and application thereof | 天津红日药业股份有限公司 | 2022-10-11 | — | — | CN | disclosed |
| EP-1089964-B1 | HYDRAZINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2003-10-29 | — | — | EP | disclosed |
| US-6239151-B1 | TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES, OSTEOARTHRITIS, RESPIRATORY DISEASES, TUMORS, CACHEXIA, CARDIOVASCULAR DISEASES, FEVER, HAEMORRHAGE AND SEPSIS, HYDRAZINE DERIVATIVES, | HOFFMANN-LA ROCHE INC. | 2001-05-29 | — | — | US | disclosed |
| EP-0404359-B1 | Dibenzothiazepine derivatives useful as antispasmodic agents | PFIZER LTD (GB) | 1994-06-29 | — | — | EP | disclosed |
| US-5071844-A | Antispasmodic agents | PFIZER INC. (US) | 1991-12-10 | — | — | US | disclosed |
| EP-0404359-A1 | Dibenzothiazepine derivatives useful as antispasmodic agents | Pfizer Limited (GB) | 1990-12-27 | — | — | EP | disclosed |