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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 2/20 | 0.40 |
| ▸ | CDC7 | O00311 | 5/20 | 0.40 |
| ▸ | DBF4 | Q9UBU7 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL287308 | 0.80 | MMP8 (0.56) | POLBKMT2AMEN1GAA | |
| SCHEMBL6154370 | 0.80 | MMP8 (0.51) | NAMPTCASP1CDC7DBF4MAPT | |
| SCHEMBL30062331 | 0.80 | MMP8 (0.56) | POLBKMT2AMEN1GAA | |
| SCHEMBL13014972 | 0.80 | MEN1 (0.46) | KMT2AALDH1A1MEN1GAA | |
| SCHEMBL11027692 | 0.79 | GAA (0.48) | CASP1MAPTKMT2ANPSR1ALDH1A1 | |
| SCHEMBL755729 | 0.79 | CYP19A1 (0.54) | NAMPTCDC7DBF4MAPTPOLB | |
| SCHEMBL27537598 | 0.79 | CA12 (0.48) | MAPTPOLBNPSR1ALDH1A1HPGD | |
| SCHEMBL5776851 | 0.77 | NAMPT (0.44) | NAMPTCASP1CDC7DBF4MAPT | |
| SCHEMBL17086147 | 0.77 | NAMPT (0.44) | NAMPTCASP1CDC7DBF4MAPT | |
| SCHEMBL28532831 | 0.77 | CYP19A1 (0.49) | NAMPTCASP1CDC7DBF4MAPT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0018595-B1 | 7-N-HETEROCYCLYL CEPHALOSPORINS, A PROCESS FOR PREPARING AND A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | MERCK & CO. INC. (US) | 1986-08-20 | — | — | EP | disclosed |
| US-4358447-A | ZWITTERIONS | MERCK & CO., INC. (US) | 1982-11-09 | — | — | US | disclosed |
| US-4283397-A | 7-N-Heterocyclyl cephalosporins and antibiotic pharmaceutical compositions containing them | MERCK & CO., INC. (US) | 1981-08-11 | — | — | US | disclosed |
| US-4282219-A | 7-N-Heterocyclyl cephalosporins and antibiotic pharmaceutical compositions containing them | MERCK & CO., INC. (US) | 1981-08-04 | — | — | US | disclosed |
| US-4271159-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1981-06-02 | — | — | US | disclosed |
| US-4255424-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1981-03-10 | — | — | US | disclosed |