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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.40 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 5/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL1562651 | 0.98 | CYP2A6 (0.53) | CYP2A6MEN1KMT2ALMNAPOLB | |
| SCHEMBL28857509 | 0.84 | ESR2 (0.56) | CYP2A6MEN1KMT2AESR1ESR2 | |
| SCHEMBL1563592 | 0.82 | CYP2A6 (0.53) | CYP2A6MEN1KMT2ALMNAPOLB | |
| SCHEMBL29431723 | 0.82 | CYP2A6 (0.53) | CYP2A6MEN1KMT2ALMNAPOLB | |
| SCHEMBL2591464 | 0.78 | MEN1 (0.44) | MEN1KMT2ALMNAPOLBTLR8 | |
| SCHEMBL30758878 | 0.78 | MEN1 (0.44) | MEN1KMT2ALMNAPOLBTLR8 | |
| SCHEMBL2757278 | 0.78 | CYP2A6 (0.57) | CYP2A6MEN1KMT2ALMNAPRMT3 | |
| SCHEMBL1521201 | 0.76 | CYP2A6 (0.50) | CYP2A6PRMT3PDE3BPDE3AALDH1A1 | |
| SCHEMBL2757276 | 0.74 | CYP2A6 (0.53) | CYP2A6PRMT3PDE3BPDE3APDE10A | |
| SCHEMBL1204569 | 0.74 | MAPT (0.43) | MEN1KMT2ALMNAPOLBESR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109153645-B | Process for preparing 6-alkynyl-pyridine derivatives | 勃林格殷格翰国际有限公司 | 2022-06-21 | — | — | CN | disclosed |
| US-11053237-B2 | Process for the manufacture of 6-alkynyl-pyridine derivatives | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2021-07-06 | — | — | US | disclosed |
| EP-3458441-B1 | PROCESS FOR THE MANUFACTURE OF 6-ALKYNYL-PYRIDINE DERIVATIVES | BOEHRINGER INGELHEIM INT (DE) | 2021-01-20 | — | — | EP | disclosed |
| US-20190308967-A1 | PROCESS FOR THE MANUFACTURE OF 6-ALKYNYL-PYRIDINE DERIVATIVES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2019-10-10 | — | — | 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 (2 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-11053237-B2 | Process for the manufacture of 6-alkynyl-pyridine derivatives | ALK, PARP16, ALKBH3 | CYP2A6 29/4885MEN1 2522/4885KMT2A 2162/4885 |
| US-20190308967-A1 | PROCESS FOR THE MANUFACTURE OF 6-ALKYNYL-PYRIDINE DERIVATIVES | ALK, PARP16, ALKBH3 | CYP2A6 29/4885MEN1 2522/4885KMT2A 2162/4885 |
“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.