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 | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.42 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.42 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.38 |
| ▸ | TMPRSS15 | P98073 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 SCHEMBL11736879 | 0.86 | KMT2A (0.41) | MRGPRX4HPGDTSHRL3MBTL1ALDH1A1 | |
| Bromide SCHEMBL4186407 | 0.85 | GRM6 (0.37) | NPSR1LMNAHPGDTSHRL3MBTL1 | |
| Bromide SCHEMBL15987417 | 0.82 | TDP1 (0.45) | LMNAHPGDTSHRL3MBTL1MAPK1 | |
| Hydrochloric Acid SCHEMBL2068311 | 0.77 | ACACA (0.44) | NPSR1LMNAHPGDTSHRALDH1A1 | |
| SCHEMBL8185273 | 0.75 | HPGD (0.56) | MRGPRX4NPSR1LMNAPPARGNCOA2 | |
| SCHEMBL17996050 | 0.75 | FAAH (0.49) | MRGPRX4NPSR1LMNAPPARGNCOA2 | |
| SCHEMBL6619558 | 0.74 | MRGPRX4 (0.56) | MRGPRX4NPSR1LMNAPPARGNCOA2 | |
| SCHEMBL2332754 | 0.73 | MAPT (0.59) | MRGPRX4NPSR1LMNAPPARGNCOA2 | |
| SCHEMBL11984343 | 0.73 | HPGD (0.56) | MRGPRX4NPSR1LMNAPPARGNCOA2 | |
| SCHEMBL1401544 | 0.73 | LMNA (0.53) | MRGPRX4NPSR1LMNAPPARGNCOA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6274620-B1 | 2-BENZENESULFONYLAMINO-3-((5-BROMO-THIOPHENE-2-CARBONYL)-AMINO )PROPIONIC ACID-TERT-BUTYL ESTERS AS ANGIOGENESIS INHIBITORS; ANTICARCINOGENIC AGENTS; OSTEOPOROSIS, RESTENOSIS, AND OCULAR NEOVASCULARIZATION | BIOCHEM PHARMA INC. (CA) | 2001-08-14 | — | — | US | disclosed |