Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MGAM | O43451 | 1/20 | 0.50 |
| ▸ | SI | P14410 | 1/20 | 0.50 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 SCHEMBL394829 | 0.78 | GAA (0.52) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL2730412 | 0.75 | — | — | |
| SCHEMBL28204489 | 0.73 | GAA (0.52) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL1864301 | 0.68 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Ethyl Propionate SCHEMBL4883389 | 0.68 | — | — | |
| Malonic Acid Diethyl Ester SCHEMBL1330550 | 0.68 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Ethyl Propionate SCHEMBL1332690 | 0.68 | — | — | |
| Malonic Acid Diethyl Ester SCHEMBL1331187 | 0.68 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Malonic Acid Diethyl Ester SCHEMBL1331824 | 0.68 | GAA (1.00) | GAAMGAMSIMGAM2ALDH1A1 | |
| Ethyl Propionate SCHEMBL16045 | 0.68 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0776201-B1 | Treating anxiety | LILLY CO ELI (US) | 2001-10-17 | — | — | EP | disclosed |
| EP-0776200-A4 | COMPOSITION AND METHOD FOR PROTECTION AGAINST DRUG DEPENDENCY | LILLY CO ELI (US) | 2001-01-17 | — | — | EP | disclosed |
| EP-0776201-A4 | COMPOSITION AND METHOD FOR TREATING ANXIETY | LILLY CO ELI (US) | 1999-07-07 | — | — | EP | disclosed |
| US-5882671-A | USING AN AGONIST WHICH ACTS AT NEGATIVELY COUPLED CAMP-LINKED METABOTROPIC GLUTAMATE RECEPTORS | ELI LILLY AND COMPANY (US) | 1999-03-16 | — | — | US | disclosed |
| US-5661184-A | ADMINISTERING AN AGONIST TO TREAT BENZODIAZEPINE DRUG ABUSE, DRUG DEPENDENCE | ELI LILLY AND COMPANY (US) | 1997-08-26 | — | — | US | disclosed |
| EP-0776200-A1 | COMPOSITION AND METHOD FOR PROTECTION AGAINST DRUG DEPENDENCY | ELI LILLY AND COMPANY (US) | 1997-06-04 | — | — | EP | disclosed |
| EP-0776201-A1 | COMPOSITION AND METHOD FOR TREATING ANXIETY | ELI LILLY AND COMPANY (US) | 1997-06-04 | — | — | EP | disclosed |
| WO-1996004901-A1 | COMPOSITION AND METHOD FOR TREATING ANXIETY | ELI LILLY AND COMPANY (US) | 1996-02-22 | — | — | WO | disclosed |
| WO-1996004900-A1 | COMPOSITION AND METHOD FOR PROTECTION AGAINST DRUG DEPENDENCY | ELI LILLY AND COMPANY (US) | 1996-02-22 | — | — | WO | disclosed |