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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.36 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | YWHAG | P61981 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL14129593 | 0.99 | ALDH1A1 (0.41) | CXCR4CYP3A4CYP2D6ALDH1A1L3MBTL1 | |
| SCHEMBL4064702 | 0.99 | ALDH1A1 (0.41) | CXCR4CYP3A4CYP2D6ALDH1A1L3MBTL1 | |
| SCHEMBL4073684 | 0.83 | CXCR4 (0.51) | CXCR4ALDH1A1NPSR1TP53KDM4E | |
| SCHEMBL4064150 | 0.77 | TSHR (0.38) | CXCR4CYP3A4CYP2D6ALDH1A1L3MBTL1 | |
| SCHEMBL6518771 | 0.75 | CXCR4 (0.52) | CXCR4CYP2D6CHRM2 | |
| SCHEMBL14129406 | 0.72 | CXCR4 (0.62) | CXCR4CYP3A4CYP2D6CHRM2 | |
| SCHEMBL4065432 | 0.72 | CXCR4 (0.62) | CXCR4CYP3A4CYP2D6CHRM2 | |
| SCHEMBL3314110 | 0.71 | L3MBTL1 (0.62) | CXCR4ALDH1A1L3MBTL1POLBALOX15 | |
| SCHEMBL29860055 | 0.71 | L3MBTL1 (0.62) | CXCR4ALDH1A1L3MBTL1POLBALOX15 | |
| SCHEMBL30338412 | 0.71 | CXCR4 (0.42) | CXCR4CYP3A4CYP2D6ALDH1A1L3MBTL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7396840-B2 | Chemokine receptor binding heterocyclic compounds | GENZYME CORPORATION (US) | 2008-07-08 | — | — | US | disclosed |