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 | |
|---|---|---|---|---|
| ▸ | SLC9A1 | P19634 | 9/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.41 |
| ▸ | APAF1 | O14727 | 1/20 | 0.39 |
| ▸ | KCNMA1 | Q12791 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL78773 | 0.98 | SLC9A1 (0.46) | SLC9A1POLBMAPK1ATMKEAP1 | |
| SCHEMBL30378712 | 0.98 | SLC9A1 (0.46) | SLC9A1POLBMAPK1ATMKEAP1 | |
| SCHEMBL5090298 | 0.97 | SLC9A1 (0.44) | SLC9A1POLBMAPK1ATMKEAP1 | |
| SCHEMBL1462681 | 0.97 | SLC9A1 (0.44) | SLC9A1POLBMAPK1ATMKEAP1 | |
| Fluoride Ion SCHEMBL619776 | 0.95 | SLC9A1 (0.43) | SLC9A1POLBMAPK1ATMKEAP1 | |
| Fluoride SCHEMBL4594157 | 0.95 | SLC9A1 (0.43) | SLC9A1POLBMAPK1ATMKEAP1 | |
| SCHEMBL5600925 | 0.92 | SLC9A1 (0.41) | SLC9A1POLBMAPK1ATMKEAP1 | |
| SCHEMBL3771511 | 0.92 | SLC9A1 (0.41) | SLC9A1POLBMAPK1ATMKEAP1 | |
| SCHEMBL44479 | 0.92 | SLC9A1 (0.41) | SLC9A1POLBMAPK1ATMKEAP1 | |
| SCHEMBL1941412 | 0.92 | SLC9A1 (0.41) | SLC9A1POLBMAPK1ATMKEAP1 |
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-20070010516-A1 | Novel piperidine derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2007-01-11 | — | — | US | disclosed |
| US-20060211707-A1 | Piperazine-alkyl-ureido derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2006-09-21 | — | — | US | disclosed |
| EP-1499607-B1 | 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO)-QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2005-12-07 | — | — | EP | disclosed |
| US-20050043535-A1 | 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists | ACTELION PHARMACEUTICALS LTD. (CH) | 2005-02-24 | — | — | 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 (3 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-20050043535-A1 | 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists | UTS2R, NTSR2, PLAUR | SLC9A1 4571/4885POLB 3938/4885MAPK1 3032/4885 |
| US-20060211707-A1 | Piperazine-alkyl-ureido derivatives | ADRA2C, UTS2R, ADRB2 | SLC9A1 3993/4885POLB 4344/4885MAPK1 2508/4885 |
| US-20070010516-A1 | Novel piperidine derivatives | UTS2R, VIPR2, NTSR2 | SLC9A1 3033/4885POLB 3383/4885MAPK1 2027/4885 |
“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.