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 | |
|---|---|---|---|---|
| ▸ | GRM4 | Q14833 | 8/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.43 |
| ▸ | GRM3 | Q14832 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | GRM8 | O00222 | 2/20 | 0.43 |
| ▸ | GRM6 | O15303 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.43 |
| ▸ | PLCB1 | Q9NQ66 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NSD2 | O96028 | 1/20 | 0.42 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.42 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28600615 | 0.97 | GRM4 (0.45) | GRM4CYP1A2GRM2GRM3CYP2C19 | |
| SCHEMBL180209 | 0.97 | GRM4 (0.45) | GRM4CYP1A2GRM2GRM3CYP2C19 | |
| Hydrochloric Acid SCHEMBL2991552 | 0.95 | GRM4 (0.43) | GRM4CYP1A2GRM2GRM3CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL29456819 | 0.85 | GRM4 (0.37) | GRM4CYP1A2GRM2GRM3CYP2C19 | |
| SCHEMBL28595938 | 0.83 | — | — | |
| SCHEMBL1433577 | 0.83 | — | — | |
| SCHEMBL29956680 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL25279878 | 0.81 | GRM4 (0.41) | GRM4CYP1A2GRM2GRM3CYP2C19 | |
| Hydrochloric Acid SCHEMBL28913901 | 0.81 | GRM4 (0.41) | GRM4CYP1A2GRM2GRM3CYP2C19 | |
| Hydrochloric Acid SCHEMBL28913902 | 0.81 | GRM4 (0.41) | GRM4CYP1A2GRM2GRM3CYP2C19 |
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-0231087-B1 | HEPTANOYL-GLU-ASP-ALA-AMINO ACID IMMUNOSTIMULANTS | PFIZER INC. (US) | 1992-03-25 | — | — | EP | disclosed |
| US-4851388-A | Heptanoyl-glu-asp-ala-amino acid immunostimulants | PFIZER INC. (US) | 1989-07-25 | — | — | US | disclosed |
| EP-0231087-A2 | Heptanoyl-glu-asp-ala-amino acid immunostimulants | PFIZER INC. (US) | 1987-08-05 | — | — | EP | disclosed |