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 | |
|---|---|---|---|---|
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.43 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | EDNRA | P25101 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | ACE | P12821 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.45 |
| ▸ | MGLL | Q99685 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | NAAA | Q02083 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
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 SCHEMBL785308 | 0.87 | CYP3A4 (0.52) | CYP3A4EDNRASMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL786373 | 0.86 | CYP3A4 (0.53) | CYP3A4EDNRASMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL786344 | 0.77 | CYP3A4 (0.43) | CYP3A4EDNRASMN1; SMN2ALDH1A1TSHR | |
| SCHEMBL31053868 | 0.76 | CYP3A4 (0.77) | CYP3A4EDNRASMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL1171492 | 0.76 | CYP3A4 (0.77) | CYP3A4EDNRASMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL803824 | 0.74 | EDNRA (0.54) | EDNRAHPGDKDM4EKMT2A | |
| SCHEMBL786777 | 0.74 | CYP3A4 (0.41) | CYP3A4EDNRASMN1; SMN2ALDH1A1TSHR | |
| SCHEMBL29510136 | 0.73 | CYP3A4 (1.00) | CYP3A4SMN1; SMN2ALDH1A1NPC1RAB9A | |
| SCHEMBL306160 | 0.73 | CYP3A4 (1.00) | CYP3A4SMN1; SMN2ALDH1A1NPC1RAB9A | |
| SCHEMBL7118271 | 0.73 | TAAR1 (0.58) | CYP3A4SMN1; SMN2MAPTATMHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-20120071661-A1 | Ionic Liquid Solvents | DUBLIN CITY UNIVERSITY (IE) | 2012-03-22 | — | — | US | claimed |
| US-8785655-B2 | Ionic liquid solvents | DUBLIN CITY UNIVERSITY (IE) | 2014-07-22 | — | — | US | disclosed |
| US-20120071661-A1 | Ionic Liquid Solvents | DUBLIN CITY UNIVERSITY (IE) | 2012-03-22 | — | — | US | 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-20120071661-A1 | Ionic Liquid Solvents | EBP, PAICS, HACD3 | CHRM5 1264/4885CHRM1 289/4885CYP3A4 452/4885 |
“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.