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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | REN | P00797 | 2/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.36 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5110973 | 0.99 | CACNA1B (0.46) | CACNA1BATMHSD17B10HTTKEAP1 | |
| Hydrochloric Acid SCHEMBL5125659 | 0.98 | CACNA1B (0.46) | CACNA1BATMHSD17B10HTTKEAP1 | |
| SCHEMBL7042271 | 0.90 | CACNA1B (0.48) | CACNA1BHTTTACR1SIGMAR1 | |
| Hydrochloric Acid SCHEMBL5114400 | 0.90 | CACNA1B (0.47) | CACNA1BHTTTACR1SIGMAR1 | |
| SCHEMBL4841915 | 0.87 | CACNA1B (0.59) | CACNA1BATMHSD17B10MCL1ACKR3 | |
| SCHEMBL7043913 | 0.87 | CACNA1B (0.45) | CACNA1BHTTRENTACR1SIGMAR1 | |
| SCHEMBL5361820 | 0.86 | CACNA1B (0.51) | CACNA1BATMHSD17B10MCL1 | |
| Hydrochloric Acid SCHEMBL5110323 | 0.86 | CACNA1B (0.45) | CACNA1BHTTRENTACR1SIGMAR1 | |
| SCHEMBL5112745 | 0.86 | CACNA1B (0.47) | CACNA1BATMHSD17B10RENACKR3 | |
| Bromide SCHEMBL5113736 | 0.85 | CACNA1B (0.62) | CACNA1BATMHSD17B10RENMCL1 |
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-7351721-B2 | Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them | ONO PHARMACEUTICAL CO., LTD. (JP) | 2008-04-01 | — | — | US | disclosed |
| US-20030232806-A1 | Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them | ONO PHARMACEUTICAL CO., LTD. | 2003-12-18 | — | — | US | disclosed |
| US-6605608-B1 | Such as n-(1-benzylpiperidin-4-yl)-3-cyclohexylmethylthio-2-((4R)-3-t -butoxycarbonylthiazolidin-4-ylcarbonylamino)propan-a mide; n-type calcium channel inhibitors | ONO PHARMACEUTICAL CO., LTD (JP) | 2003-08-12 | — | — | US | disclosed |
| EP-1090912-A1 | AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO., LTD. (JP) | 2001-04-11 | — | — | EP | 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-20030232806-A1 | Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them | CACNA1I, CACNA1S, CACNA1B | SIGMAR1 2381/4885CACNA1B 3/4885ATM 2618/4885 |
“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.