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 | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CAD | P27708 | 1/20 | 0.41 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SI | P14410 | 1/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 SCHEMBL8314219 | 1.00 | L3MBTL1 (0.44) | L3MBTL1KMT2APOLBCADCPB2 | |
| SCHEMBL120528 | 0.98 | L3MBTL1 (0.46) | L3MBTL1KMT2APOLBCADCPB2 | |
| SCHEMBL120529 | 0.98 | L3MBTL1 (0.46) | L3MBTL1KMT2APOLBCADCPB2 | |
| SCHEMBL112489 | 0.98 | L3MBTL1 (0.46) | L3MBTL1KMT2APOLBCADCPB2 | |
| Hydrochloric Acid SCHEMBL6322812 | 0.96 | L3MBTL1 (0.44) | L3MBTL1KMT2APOLBCADCPB2 | |
| Hydrochloric Acid SCHEMBL6315039 | 0.96 | L3MBTL1 (0.44) | L3MBTL1KMT2APOLBCADCPB2 | |
| SCHEMBL113196 | 0.82 | KDM4E (0.35) | L3MBTL1KMT2APOLBALDH1A1ALOX15 | |
| SCHEMBL10674538 | 0.82 | L3MBTL1 (0.43) | L3MBTL1KMT2APOLBCADCPB2 | |
| SCHEMBL2734760 | 0.80 | CAD (0.44) | L3MBTL1KMT2APOLBCADMGAM | |
| SCHEMBL8681998 | 0.80 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0724601-A4 | S 3N CHELATING COMPOUNDS FOR THE RADIOLABELING OF LIGANDS, ANTI-LIGANDS OR OTHER PROTEINS | NEORX CORP (US) | 1999-02-03 | — | — | EP | disclosed |
| US-5684137-A | TECHNETIUM AND RHENIUM LABELS FOR LIGANDS AND PROTEINS | NEORX CORPORATION (US) | 1997-11-04 | — | — | US | disclosed |
| EP-0724601-A1 | S 3N CHELATING COMPOUNDS FOR THE RADIOLABELING OF LIGANDS, ANTI-LIGANDS OR OTHER PROTEINS | NEORX CORPORATION (US) | 1996-08-07 | — | — | EP | disclosed |
| WO-1995005398-A1 | S3N CHELATING COMPOUNDS FOR THE RADIOLABELING OF LIGANDS, ANTI-LIGANDS OR OTHER PROTEINS | NEORX CORPORATION (US) | 1995-02-23 | — | — | WO | disclosed |
| US-5252721-A | S3 N chelating compounds | NEORX CORPORATION (US) | 1993-10-12 | — | — | US | disclosed |