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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | DDB1 | Q16531 | 2/20 | 0.34 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 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 SCHEMBL9076742 | 1.00 | MEN1 (0.40) | MEN1KMT2ANPSR1LMNAUSP2 | |
| Bromide SCHEMBL7880295 | 0.90 | MEN1 (0.43) | MEN1KMT2AROCK2DDB1CRBN | |
| Bromide SCHEMBL7880298 | 0.90 | MEN1 (0.43) | MEN1KMT2AROCK2DDB1CRBN | |
| Bromide SCHEMBL7625296 | 0.85 | L3MBTL1 (0.43) | ROCK2SIGMAR1MAPTALDH1A1HDAC1 | |
| Bromide SCHEMBL7625301 | 0.85 | L3MBTL1 (0.43) | ROCK2SIGMAR1MAPTALDH1A1HDAC1 | |
| Bromide SCHEMBL8564801 | 0.82 | ALDH1A1 (0.36) | KMT2ALMNAMAPTALDH1A1CRBN | |
| Bromide SCHEMBL8564796 | 0.82 | ALDH1A1 (0.36) | KMT2ALMNAMAPTALDH1A1CRBN | |
| Bromide SCHEMBL9079584 | 0.81 | KMT2A (0.41) | MEN1KMT2AUSP2MAPTALDH1A1 | |
| Bromide SCHEMBL9079585 | 0.81 | KMT2A (0.41) | MEN1KMT2AUSP2MAPTALDH1A1 | |
| Bromide SCHEMBL7621505 | 0.80 | CRBN (0.43) | LMNASIGMAR1MAPTALDH1A1CRBN |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5523400-A | 3-(PYRROLIDIN-3-YLIDENE=CH-),7-((2-AMINOTHIAZOL-4-YL)HYDROX -IMINOACETYLAMINO-)-3-CEPHEM DERIVATIVES; BROAD SPECTRUM ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1996-06-04 | — | — | US | disclosed |
| EP-0620225-A1 | Cephalosporin derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1994-10-19 | — | — | EP | disclosed |