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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.44 |
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | KCNA5 | P22460 | 5/20 | 0.43 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | PI4KA | P42356 | 1/20 | 0.37 |
| ▸ | PI4K2B | Q8TCG2 | 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 | |
|---|---|---|---|---|
| SCHEMBL5032376 | 0.98 | SLC6A2 (0.45) | SMN1; SMN2MEN1GAAKMT2ASLC6A2 | |
| SCHEMBL6654893 | 0.82 | SLC6A2 (0.41) | SMN1; SMN2MEN1GAAKMT2ASLC6A2 | |
| SCHEMBL5429300 | 0.77 | SLC6A2 (0.48) | SMN1; SMN2MEN1GAAKMT2ASLC6A2 | |
| SCHEMBL2937192 | 0.77 | SLC6A2 (0.48) | SMN1; SMN2MEN1GAAKMT2ASLC6A2 | |
| Hydrochloric Acid SCHEMBL31482123 | 0.76 | SMN1; SMN2 (0.41) | SMN1; SMN2MEN1GAAKMT2ASLC6A2 | |
| SCHEMBL7477684 | 0.73 | TRPA1 (0.48) | SMN1; SMN2MEN1GAAKMT2ASLC6A2 | |
| SCHEMBL29700907 | 0.73 | SMN1; SMN2 (0.49) | SMN1; SMN2MEN1GAAKMT2ASLC6A2 | |
| SCHEMBL702161 | 0.73 | SMN1; SMN2 (0.49) | SMN1; SMN2MEN1GAAKMT2ASLC6A2 | |
| SCHEMBL22275828 | 0.73 | SMN1; SMN2 (0.49) | SMN1; SMN2MEN1GAAKMT2ASLC6A2 | |
| SCHEMBL5581899 | 0.73 | SMN1; SMN2 (0.49) | SMN1; SMN2MEN1GAAKMT2ASLC6A2 |
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-6759428-B2 | SUCH AS N-((1,2)-2-(((CYANO(CYCLOPROPYL)METHYL)AMINO)CARBONYL) CYCLOHEXYL)-1H-INDOLE-2-CARBOXAMIDE; CATHEPSIN K INHIBITORS | ROCHE PALO ALTO LLC | 2004-07-06 | — | — | US | disclosed |
| US-20040077646-A1 | Indole nitriles | ROCHE PALO ALTO LLC | 2004-04-22 | — | — | US | disclosed |
| EP-1155010-A1 | ACETAMIDO ACETONITRILE DERIVATIVES AS INHIBITORS OF CATHEPSIN L AND/OR CATHEPSIN S | AstraZeneca AB (SE) | 2001-11-21 | — | — | EP | disclosed |
| WO-2000049007-A1 | ACETAMIDO ACETONITRILE DERIVATIVES AS INHIBITORS OF CATHEPSIN L AND/OR CATHEPSIN S | ASTRAZENECA AB (SE) | 2000-08-24 | — | — | WO | 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-20040077646-A1 | Indole nitriles | TPH1, IDO1, NAT1 | SLC6A2 388/4885SLC6A4 108/4885SLC6A3 350/4885 |
“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.