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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14085079 | 0.98 | CYP3A4 (0.52) | CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15 | |
| Bromide SCHEMBL6474963 | 0.83 | CYP3A4 (0.50) | CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15 | |
| SCHEMBL11778076 | 0.79 | CYP3A4 (0.56) | CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15 | |
| SCHEMBL9629784 | 0.79 | SMN1; SMN2 (0.56) | CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15 | |
| SCHEMBL535139 | 0.77 | CYP3A4 (0.54) | CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15 | |
| SCHEMBL358331 | 0.77 | CYP3A4 (0.54) | CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15 | |
| SCHEMBL29758099 | 0.77 | CYP3A4 (0.54) | CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15 | |
| SCHEMBL28248305 | 0.77 | CYP3A4 (0.48) | CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15 | |
| SCHEMBL384040 | 0.77 | IDO1 (0.44) | CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15 | |
| SCHEMBL30089455 | 0.77 | IDO1 (0.44) | CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6906078-B2 | Method of using (H+/K+) ATPase inhibitors as antiviral agents | PHARMACIA CORPORATION (US) | 2005-06-14 | — | — | US | disclosed |
| US-20010047038-A1 | Method of using (H+/K+) ATPase inhibitors as antiviral agents | MOORMAN ALAN E (US) | 2001-11-29 | — | — | US | disclosed |
| US-5945425-A | ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE | G.D. SEARLE & CO. (US) | 1999-08-31 | — | — | US | disclosed |
| US-5869513-A | ANTIULCER AGENTS | G. D. SEARLE & CO. (US) | 1999-02-09 | — | — | US | disclosed |
| WO-1995029897-A1 | METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS | G.D. SEARLE & CO. (US) | 1995-11-09 | — | — | WO | disclosed |
| EP-0204215-A1 | 2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-benzenamines | G.D. Searle & Co. (US) | 1986-12-10 | — | — | EP | disclosed |
| US-4214889-A | Benzoxazine herbicides | SANDOZ, INC. (US) | 1980-07-29 | — | — | US | disclosed |
| US-4164407-A | Benzoxazine herbicides | SANDOZ, INC. (US) | 1979-08-14 | — | — | 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-20010047038-A1 | Method of using (H+/K+) ATPase inhibitors as antiviral agents | ATP4A, ATP1A1, ATP1A4 | CYP3A4 1001/4885SMN1; SMN2 4616/4885TSHR 3552/4885 |
“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.