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 | |
|---|---|---|---|---|
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.57 |
| ▸ | GSR | P00390 | 2/20 | 0.50 |
| ▸ | GRM8 | O00222 | 1/20 | 0.50 |
| ▸ | GRM6 | O15303 | 1/20 | 0.50 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.50 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.50 |
| ▸ | GRM5 | P41594 | 1/20 | 0.50 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.50 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.50 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.50 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.50 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.50 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.50 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.50 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.50 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.50 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.50 |
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 SCHEMBL8445234 | 1.00 | PMP22 (0.57) | PMP22GSRGRM8GRM6GRIN2D | |
| SCHEMBL9193067 | 0.98 | PMP22 (0.59) | PMP22GSRGRM8GRM6GRIN2D | |
| SCHEMBL157695 | 0.98 | PMP22 (0.59) | PMP22GSRGRM8GRM6GRIN2D | |
| SCHEMBL157694 | 0.98 | PMP22 (0.59) | PMP22GSRGRM8GRM6GRIN2D | |
| Hydrochloric Acid SCHEMBL26699117 | 0.95 | PMP22 (0.57) | PMP22GSRGRM8GRM6GRIN2D | |
| Hydrochloric Acid SCHEMBL26699118 | 0.95 | PMP22 (0.57) | PMP22GSRGRM8GRM6GRIN2D | |
| SCHEMBL28766377 | 0.95 | PMP22 (0.57) | PMP22GSRGRM8GRM6GRIN2D | |
| Homocysteine SCHEMBL27998293 | 0.87 | PMP22 (0.50) | PMP22GSRGRM8GRM6GRIN2D | |
| SCHEMBL38660644 | 0.86 | GSR (0.54) | PMP22GSRGRM8GRM6GRIN2D | |
| Lysine SCHEMBL1080025 | 0.84 | GSR (0.74) | PMP22GSRCYP1A2BLMARG1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0543997-B1 | DERIVATIVES OF METHOTREXATE WITH ANTIRHEUMATIC ACTIVITY | CHUGAI PHARMACEUTICAL CO LTD (JP) | 1999-12-08 | — | — | EP | disclosed |
| US-5354753-A | Methotrexate derivative | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 1994-10-11 | — | — | US | disclosed |
| EP-0543997-A1 | NOVEL METHOTREXATE DERIVATIVE | Chugai Seiyaku Kabushiki Kaisha (JP) | 1993-06-02 | — | — | EP | disclosed |