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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 4/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4853407 | 0.98 | GSK3B (0.39) | SMYD3GSK3BNOS1SMN1; SMN2NPC1 | |
| SCHEMBL3705884 | 0.82 | SMYD3 (0.42) | SMYD3GSK3BNOS1SMN1; SMN2NPC1 | |
| SCHEMBL25801701 | 0.80 | SMYD3 (0.40) | SMYD3NOS1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL1357165 | 0.78 | GSK3B (0.39) | GSK3BMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL933967 | 0.77 | — | — | |
| SCHEMBL12294975 | 0.76 | GSK3B (0.47) | GSK3BSMN1; SMN2NPC1RAB9ALMNA | |
| SCHEMBL22509130 | 0.76 | RAB9A (0.40) | SMYD3NOS1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL27858608 | 0.74 | NOS1 (0.46) | SMYD3NOS1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL15759485 | 0.74 | GSK3B (0.34) | GSK3BMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL6198413 | 0.73 | CDC7 (0.54) | SMN1; SMN2MEN1KMT2AALDH1A1MAPT |
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 6 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-1065206-B1 | Tetrazolylalkyl indole compounds as anti-inflammatory and analgesic agents | PFIZER (US) | 2002-10-09 | — | — | EP | disclosed |
| EP-1065206-A1 | Tetrazolylalkyl indole compounds as anti-inflammatory and analgesic agents | PFIZER INC. (US) | 2001-01-03 | — | — | EP | 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 |