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 | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 2/20 | 0.67 |
| ▸ | NOD2 | Q9HC29 | 2/20 | 0.67 |
| ▸ | NOD1 | Q9Y239 | 2/20 | 0.67 |
| ▸ | HTT | P42858 | 3/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.56 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | GALR3 | O60755 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11710202 | 0.98 | TNF (0.68) | TNFNOD2NOD1HTTKMT2A | |
| Bromide SCHEMBL11710788 | 0.87 | CXCR4 (0.62) | TNFNOD2NOD1HTTKMT2A | |
| SCHEMBL11711038 | 0.85 | CXCR4 (0.64) | TNFNOD2NOD1HTTKMT2A | |
| SCHEMBL11711763 | 0.82 | TNF (0.56) | TNFNOD2NOD1HTTKMT2A | |
| SCHEMBL20715688 | 0.80 | TNF (0.68) | TNFNOD2NOD1HTTKMT2A | |
| SCHEMBL23120167 | 0.78 | TP53 (0.70) | HTTKMT2ANPSR1TSHRMEN1 | |
| SCHEMBL7264497 | 0.78 | TSHR (0.73) | HTTKMT2ANPSR1TSHRMEN1 | |
| SCHEMBL29949283 | 0.78 | TP53 (0.70) | HTTKMT2ANPSR1TSHRMEN1 | |
| SCHEMBL7165480 | 0.77 | TNF (0.87) | TNFNOD2NOD1HTTKMT2A | |
| Hydrochloric Acid SCHEMBL11711378 | 0.76 | HTT (0.53) | TNFNOD2NOD1HTTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4004016-A | ANTIINFLAMMATORY | E. R. SQUIBB & SONS, INC. (US) | 1977-01-18 | — | — | US | claimed |
| US-4004016-A | ANTIINFLAMMATORY | E. R. SQUIBB & SONS, INC. (US) | 1977-01-18 | — | — | US | disclosed |