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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 8/20 | 0.40 |
| ▸ | NOS3 | P29474 | 3/20 | 0.38 |
| ▸ | NOS2 | P35228 | 3/20 | 0.38 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | CCR8 | P51685 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.31 |
| ▸ | WNT3A | P56704 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6170342 | 0.98 | GSK3B (0.41) | GSK3BNOS3NOS2CCR1CCR5 | |
| Bromide SCHEMBL1984185 | 0.79 | RAB9A (0.41) | GSK3BNOS3NOS2PTPN1ALDH1A1 | |
| SCHEMBL3701074 | 0.76 | RAB9A (0.41) | GSK3BNOS3NOS2PTPN1ALDH1A1 | |
| SCHEMBL29601119 | 0.76 | RAB9A (0.41) | GSK3BNOS3NOS2PTPN1ALDH1A1 | |
| SCHEMBL10559164 | 0.76 | GSK3B (0.35) | GSK3BALDH1A1POLBHPGDKMT2A | |
| Bromide SCHEMBL5569174 | 0.76 | GSK3B (0.39) | GSK3BPTPN1ALDH1A1MEN1MAPT | |
| SCHEMBL7199668 | 0.75 | KDM4E (0.47) | NOS3NOS2CCR1CCR5CCR8 | |
| SCHEMBL6169072 | 0.75 | NOS3 (0.45) | NOS3NOS2CCR1CCR5CCR8 | |
| SCHEMBL1437221 | 0.73 | NOS3 (0.48) | GSK3BNOS3NOS2CCR1CCR5 | |
| SCHEMBL30631992 | 0.73 | NOS3 (0.48) | GSK3BNOS3NOS2CCR1CCR5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1045833-B1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER (US) | 2005-11-02 | — | — | EP | disclosed |
| US-6608070-B1 | Useful for treatment of medical condition in which prostaglandins are implicated as pathogens | NAKAO KAZUNARI (JP) | 2003-08-19 | — | — | US | disclosed |
| EP-1045833-A1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER INC. (US) | 2000-10-25 | — | — | EP | disclosed |
| WO-1999035130-A1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER PHARMACEUTICALS INC. (JP) | 1999-07-15 | — | — | WO | disclosed |