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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 2/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | ACACB | O00763 | 2/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | NPY4R | P50391 | 6/20 | 0.36 |
| ▸ | NPY1R | P25929 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NPY2R | P49146 | 2/20 | 0.36 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MASP2 | O00187 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | TACR2 | P21452 | 2/20 | 0.35 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 SCHEMBL7354482 | 0.88 | CTSL (0.45) | CTSLHRH3ACACBCTSBGAA | |
| SCHEMBL7359178 | 0.83 | DPP8 (0.46) | CTSL | |
| Bromide SCHEMBL7402178 | 0.81 | CTSL (0.63) | CTSLCTSBTACR2 | |
| Bromide SCHEMBL7402175 | 0.81 | CTSL (0.63) | CTSLCTSBTACR2 | |
| Bromide SCHEMBL7353740 | 0.81 | CTSL (0.63) | CTSLCTSBTACR2 | |
| Bromide SCHEMBL7353735 | 0.81 | CTSL (0.63) | CTSLCTSBTACR2 | |
| SCHEMBL7354030 | 0.79 | CTSL (0.59) | CTSLACACBCTSBGAAMASP2 | |
| Bromide SCHEMBL7357091 | 0.72 | CTSB (0.74) | CTSLCTSBTACR2 | |
| Bromide SCHEMBL7357088 | 0.72 | CTSB (0.74) | CTSLCTSBTACR2 | |
| SCHEMBL25690544 | 0.71 | NPY4R (0.52) | NPY4RNPY1RNPY2RNPY5R |
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-0756625-A4 | IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS | ARRIS PHARM CORP (US) | 1999-07-28 | — | — | EP | claimed |
| EP-0756625-A1 | IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS | ARRIS PHARMACEUTICAL CORPORATION (US) | 1997-02-05 | — | — | EP | claimed |
| WO-1995023222-A1 | IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS | KHEPRI PHARMACEUTICALS, INC. (US) | 1995-08-31 | — | — | WO | claimed |