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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 3/20 | 0.33 |
| ▸ | CTSB | P07858 | 3/20 | 0.32 |
| ▸ | CTSK | P43235 | 2/20 | 0.32 |
| ▸ | CTSH | P09668 | 1/20 | 0.32 |
| ▸ | CTSC | P53634 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TACR2 | P21452 | 1/20 | 0.30 |
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 SCHEMBL7358248 | 0.85 | CTSL (0.48) | CTSLCTSBCTSKCTSHCTSC | |
| Bromide SCHEMBL7402182 | 0.69 | CTSL (0.42) | CTSLCTSBSMN1; SMN2TACR2 | |
| Bromide SCHEMBL7353735 | 0.68 | CTSL (0.63) | CTSLCTSBCTSKCTSHCTSC | |
| Bromide SCHEMBL7402178 | 0.68 | CTSL (0.63) | CTSLCTSBCTSKCTSHCTSC | |
| Bromide SCHEMBL7402175 | 0.68 | CTSL (0.63) | CTSLCTSBCTSKCTSHCTSC | |
| Bromide SCHEMBL7353740 | 0.68 | CTSL (0.63) | CTSLCTSBCTSKCTSHCTSC | |
| Bromide SCHEMBL7358240 | 0.67 | CTSB (0.64) | CTSLCTSBCTSKCTSHCTSC | |
| Bromide SCHEMBL7358237 | 0.67 | CTSB (0.64) | CTSLCTSBCTSKCTSHCTSC | |
| SCHEMBL8516417 | 0.67 | CTSL (0.57) | CTSLCTSBCTSKCTSHCTSC | |
| SCHEMBL24322721 | 0.66 | GAA (0.47) | KDM4EALDH1A1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |