Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 2/20 | 0.69 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.69 |
| ▸ | MEN1 | O00255 | 2/20 | 0.69 |
| ▸ | TSHR | P16473 | 2/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.69 |
| ▸ | TP53 | P04637 | 1/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | MAPT | P10636 | 1/20 | 0.69 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.69 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.69 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.69 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22761851 | 0.98 | CYP1A1 (0.72) | CYP1A1CYP1B1MEN1TSHRKMT2A | |
| Bromide SCHEMBL22749642 | 0.97 | CYP1A1 (0.73) | CYP1A1CYP1B1MEN1TSHRKMT2A | |
| Bromide SCHEMBL31502639 | 0.94 | CYP1A1 (0.69) | CYP1A1CYP1B1MEN1TSHRKMT2A | |
| SCHEMBL22761834 | 0.86 | CYP3A4 (0.62) | CYP1A1CYP1B1MEN1TSHRKMT2A | |
| Bromide SCHEMBL22749446 | 0.85 | CYP1A1 (0.63) | CYP1A1CYP1B1MEN1TSHRKMT2A | |
| Bromide SCHEMBL22749605 | 0.85 | KMT2A (0.95) | CYP1A1CYP1B1MEN1TSHRKMT2A | |
| Bromide SCHEMBL22749644 | 0.84 | ALDH1A1 (0.73) | CYP1A1CYP1B1MEN1TSHRKMT2A | |
| Bromide SCHEMBL31502682 | 0.83 | CYP1A1 (0.60) | CYP1A1CYP1B1MEN1TSHRKMT2A | |
| SCHEMBL13650924 | 0.82 | MAPT (0.77) | CYP1A1CYP1B1MEN1TSHRKMT2A | |
| SCHEMBL158627 | 0.82 | KMT2A (1.00) | CYP1A1CYP1B1MEN1TSHRKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220251054-A1 | Analogues and Methods of Treating Rett Syndrome | UNIV CALIFORNIA (US) | 2022-08-11 | — | — | US | claimed |
| WO-2020247336-A1 | PIFITHRIN ANALOGUES AND METHODS OF TREATING RETT SYNDROME | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2020-12-10 | — | — | WO | claimed |
| US-20220251054-A1 | Analogues and Methods of Treating Rett Syndrome | UNIV CALIFORNIA (US) | 2022-08-11 | — | — | US | disclosed |
| WO-2020247336-A1 | PIFITHRIN ANALOGUES AND METHODS OF TREATING RETT SYNDROME | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2020-12-10 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20220251054-A1 | Analogues and Methods of Treating Rett Syndrome | MECP2, PAX3, PAX2 | CYP1A1 4823/4885CYP1B1 4793/4885MEN1 752/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.