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 | |
|---|---|---|---|---|
| ▸ | SLC2A1 | P11166 | 3/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | CASP1 | P29466 | 1/20 | 0.51 |
| ▸ | CASP7 | P55210 | 1/20 | 0.51 |
| ▸ | RUNX1 | Q01196 | 1/20 | 0.51 |
| ▸ | CBFB | Q13951 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.51 |
| ▸ | RELA | Q04206 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9508868 | 0.99 | SLC2A1 (0.60) | SLC2A1LMNAKDM4EALDH1A1GAA | |
| SCHEMBL9511859 | 0.91 | SLC2A1 (0.52) | SLC2A1LMNAKDM4EALDH1A1GAA | |
| Hydrochloric Acid SCHEMBL9508193 | 0.90 | SLC2A1 (0.54) | SLC2A1LMNAKDM4EALDH1A1GAA | |
| SCHEMBL9776700 | 0.82 | SLC2A1 (0.83) | SLC2A1LMNAKDM4EALDH1A1MAPT | |
| Bromide SCHEMBL9508831 | 0.81 | — | — | |
| SCHEMBL9508208 | 0.81 | SLC2A1 (0.57) | SLC2A1LMNANPC1PKMNFKB1 | |
| Hydrochloric Acid SCHEMBL9776677 | 0.80 | SLC2A1 (0.86) | SLC2A1LMNAKDM4EALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL9776708 | 0.80 | SLC2A1 (0.60) | SLC2A1LMNANPC1PKMNFKB1 | |
| SCHEMBL9508870 | 0.79 | — | — | |
| Alcohol SCHEMBL9811751 | 0.78 | SLC2A1 (0.73) | SLC2A1LMNAKDM4EALDH1A1MAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0404322-B1 | QUINAZOLINE DERIVATIVES | SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) | 1993-09-22 | — | — | EP | claimed |
| US-5064833-A | Substituted quinazoline derivatives for use in gastrointestinal diseases | SMITHKLINE BEECHAM INTERCREDIT B.V. (GB) | 1991-11-12 | — | — | US | claimed |
| EP-0404322-B1 | QUINAZOLINE DERIVATIVES | SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) | 1993-09-22 | — | — | EP | disclosed |
| US-5064833-A | Substituted quinazoline derivatives for use in gastrointestinal diseases | SMITHKLINE BEECHAM INTERCREDIT B.V. (GB) | 1991-11-12 | — | — | US | disclosed |
| EP-0404322-A1 | Quinazoline derivatives | SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) | 1990-12-27 | — | — | EP | disclosed |