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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 7/20 | 0.68 |
| ▸ | CTSB | P07858 | 6/20 | 0.60 |
| ▸ | CTSS | P25774 | 6/20 | 0.54 |
| ▸ | CTSK | P43235 | 2/20 | 0.49 |
| ▸ | CTSH | P09668 | 1/20 | 0.49 |
| ▸ | CTSC | P53634 | 1/20 | 0.49 |
| ▸ | TACR2 | P21452 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
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 SCHEMBL7361187 | 1.00 | CTSL (0.68) | CTSLCTSBCTSSCTSKCTSH | |
| Bromide SCHEMBL7361192 | 1.00 | CTSL (0.68) | CTSLCTSBCTSSCTSKCTSH | |
| SCHEMBL7350457 | 0.88 | CTSL (0.86) | CTSLCTSBCTSSCTSKCTSH | |
| SCHEMBL7350465 | 0.88 | CTSL (0.86) | CTSLCTSBCTSSCTSKCTSH | |
| SCHEMBL7350460 | 0.88 | CTSL (0.86) | CTSLCTSBCTSSCTSKCTSH | |
| Bromide SCHEMBL7402175 | 0.87 | CTSL (0.63) | CTSLCTSBCTSSCTSKCTSH | |
| Bromide SCHEMBL7353740 | 0.87 | CTSL (0.63) | CTSLCTSBCTSSCTSKCTSH | |
| Bromide SCHEMBL7353796 | 0.87 | CTSL (0.80) | CTSLCTSBCTSSCTSKCTSH | |
| Bromide SCHEMBL7353735 | 0.87 | CTSL (0.63) | CTSLCTSBCTSSCTSKCTSH | |
| Bromide SCHEMBL7353786 | 0.87 | CTSL (0.80) | CTSLCTSBCTSSCTSKCTSH |
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 8 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 |
| US-6287840-B1 | PEPTIDOMIMETICS; COUPLING, DEBLOCKING; ANTIARTHRITIC, ANTITUMOR, ANTICARCINOGENIC, AND ANTIMETASTASIS AGENTS; MUSCULAR DYSTROPHY, GLOMERULONEPHRITIS, MALARIA, ALZHEIMER*S DISEASE | AXYS PHARMACEUTICALS, INC. | 2001-09-11 | — | — | US | disclosed |
| US-5976858-A | (S)-(E)-3-(4-MORPHOLINE-CARBONYLLEUCYL)AMINO-5-PHENYL-1-PHENYL SULFONYL-1-PENTENE AND OTHERS; ANTIARTHRITIS/ANTITUMOR/ ANTIINFLAMMATORY/ANTIMETASTASIS AGENTS; TREATMENT OF MUSCULAR DYSTROPHY, MALARIA, ALZHEIMER'S AND AUTOIMMUNE DISEASES | ARRIS PHARMACEUTICALS (US) | 1999-11-02 | — | — | US | disclosed |
| EP-0756625-A4 | IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS | ARRIS PHARM CORP (US) | 1999-07-28 | — | — | EP | disclosed |
| EP-0756625-A1 | IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS | ARRIS PHARMACEUTICAL CORPORATION (US) | 1997-02-05 | — | — | EP | disclosed |
| WO-1995023222-A1 | IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS | KHEPRI PHARMACEUTICALS, INC. (US) | 1995-08-31 | — | — | WO | disclosed |