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 | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 4/20 | 0.48 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | MT-CO2 | P00403 | 2/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.43 |
| ▸ | KYAT1 | Q16773 | 1/20 | 0.40 |
| ▸ | KYAT3 | Q6YP21 | 1/20 | 0.40 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | STAT6 | P42226 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6160031 | 0.99 | HCRTR1 (0.49) | HCRTR1HCRTR2ALDH1A1GFERMT-CO2 | |
| SCHEMBL14275829 | 0.86 | ALDH1A1 (0.53) | ALDH1A1MT-CO2ALOX5CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL20556486 | 0.85 | ALDH1A1 (0.51) | ALDH1A1MT-CO2ALOX5CYP1A2CYP3A4 | |
| SCHEMBL6159751 | 0.83 | HCRTR1 (0.52) | HCRTR1HCRTR2ALDH1A1GFERMT-CO2 | |
| SCHEMBL6159504 | 0.83 | HCRTR1 (0.49) | HCRTR1HCRTR2ALDH1A1GFERMT-CO2 | |
| SCHEMBL31195684 | 0.83 | CMA1 (0.54) | HCRTR1HCRTR2ALDH1A1AADATGAA | |
| SCHEMBL6158680 | 0.76 | HCRTR1 (0.46) | HCRTR1HCRTR2ALDH1A1GFERMT-CO2 | |
| SCHEMBL6157396 | 0.76 | HCRTR1 (0.43) | HCRTR1HCRTR2ALDH1A1GFERMT-CO2 | |
| SCHEMBL6157379 | 0.75 | ALDH1A1 (0.48) | HCRTR1HCRTR2ALDH1A1GFERMT-CO2 | |
| SCHEMBL7082507 | 0.75 | ALDH1A1 (0.48) | HCRTR1HCRTR2ALDH1A1GFERMT-CO2 |
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-6953789-B2 | Thiol compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2005-10-11 | — | — | US | disclosed |
| US-20040157894-A1 | Thiol compounds, their production and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-08-12 | — | — | US | disclosed |
| US-6420415-B1 | Thiol compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-07-16 | — | — | US | disclosed |
| EP-1132379-A1 | NOVEL THIOL DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2001-09-12 | — | — | 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-20040157894-A1 | Thiol compounds, their production and use | TST, SULT1E1, QSOX1 | HCRTR1 1930/4885HCRTR2 1754/4885ALDH1A1 877/4885 |
“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.