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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PPM1B | O75688 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12598334 | 0.99 | CYP3A4 (0.37) | CYP3A4CYP2C19MAPK1TP53SMN1; SMN2 | |
| SCHEMBL9729278 | 0.99 | CYP3A4 (0.37) | CYP3A4CYP2C19MAPK1TP53SMN1; SMN2 | |
| SCHEMBL13411394 | 0.99 | CYP3A4 (0.37) | CYP3A4CYP2C19MAPK1TP53SMN1; SMN2 | |
| SCHEMBL9728986 | 0.99 | CYP3A4 (0.37) | CYP3A4CYP2C19MAPK1TP53SMN1; SMN2 | |
| SCHEMBL9729287 | 0.99 | CYP3A4 (0.37) | CYP3A4CYP2C19MAPK1TP53SMN1; SMN2 | |
| SCHEMBL12156499 | 0.99 | CYP3A4 (0.37) | CYP3A4CYP2C19MAPK1TP53SMN1; SMN2 | |
| SCHEMBL1841367 | 0.83 | ALDH1A1 (0.43) | CYP3A4CYP2C19MAPK1POLBALDH1A1 | |
| SCHEMBL31721580 | 0.80 | CYP3A4 (0.38) | CYP3A4CYP2C19MAPK1TP53SMN1; SMN2 | |
| SCHEMBL2988940 | 0.80 | CYP3A4 (0.38) | CYP3A4CYP2C19MAPK1TP53SMN1; SMN2 | |
| SCHEMBL13411367 | 0.80 | OPRK1 (0.34) | CYP3A4CYP2C19MAPK1TP53SMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110112133-A1 | DIHYDRO PYRROLOQUINOLINE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-05-12 | — | — | 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-20110112133-A1 | DIHYDRO PYRROLOQUINOLINE DERIVATIVES | HRH4, HRH2, BDKRB2 | CYP3A4 1093/4885CYP2C19 1205/4885MAPK1 2342/4885 |
“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.