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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLAU | P00749 | 11/20 | 0.59 |
| ▸ | AMY1A | P0DUB6 | 4/20 | 0.58 |
| ▸ | CLEC4M | Q9H2X3 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 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 SCHEMBL6925488 | 0.91 | AMY1A (0.57) | PLAUAMY1ACLEC4MRAB9AGAA | |
| SCHEMBL7241404 | 0.89 | AMY1A (0.58) | PLAUAMY1ACLEC4MRAB9AGAA | |
| Bromide SCHEMBL7388804 | 0.83 | PLAU (0.78) | PLAUAMY1ARAB9AGAAMAPT | |
| Bromide SCHEMBL6921445 | 0.77 | PLAU (0.61) | PLAUAMY1ARAB9AGAAMAPT | |
| Bromide SCHEMBL7812828 | 0.77 | PLAU (0.50) | PLAUAMY1ACSNK2A1 | |
| Bromide SCHEMBL7822985 | 0.77 | PLAU (0.75) | PLAUAMY1ARAB9AGAAMAPT | |
| Bromide SCHEMBL7822641 | 0.76 | PLAU (0.77) | PLAUAMY1A | |
| Bromide SCHEMBL6923438 | 0.76 | PLAU (0.77) | PLAUAMY1ARAB9AGAAMAPT | |
| Bromide SCHEMBL7855126 | 0.76 | PLAU (0.59) | PLAURAB9AGAAMAPTNPC1 | |
| SCHEMBL27554751 | 0.75 | PLAU (0.77) | PLAUAMY1ARAB9AGAAMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1152759-A2 | METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2001-11-14 | — | — | EP | disclosed |
| WO-2000047194-A9 | METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR | DIMENSIONAL PHARM INC (US) | 2001-05-31 | — | — | WO | disclosed |
| WO-2000047194-A2 | METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2000-08-17 | — | — | WO | disclosed |