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 | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 3/20 | 0.72 |
| ▸ | HTR2C | P28335 | 5/20 | 0.46 |
| ▸ | ADCY6 | O43306 | 1/20 | 0.38 |
| ▸ | ADCY3 | O60266 | 1/20 | 0.38 |
| ▸ | ADCY9 | O60503 | 1/20 | 0.38 |
| ▸ | ADCY5 | O95622 | 1/20 | 0.38 |
| ▸ | ADCY8 | P40145 | 1/20 | 0.38 |
| ▸ | ADCY7 | P51828 | 1/20 | 0.38 |
| ▸ | ADCY2 | Q08462 | 1/20 | 0.38 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.38 |
| ▸ | ADCY4 | Q8NFM4 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 4/20 | 0.38 |
| ▸ | HTR2B | P41595 | 4/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | CD44 | P16070 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | DRD1 | P21728 | 2/20 | 0.35 |
| ▸ | DRD4 | P21917 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL997292 | 0.98 | PNMT (0.75) | PNMTHTR2CADCY6ADCY3ADCY9 | |
| Hydrochloric Acid SCHEMBL11181806 | 0.95 | PNMT (0.72) | PNMTHTR2CADCY6ADCY3ADCY9 | |
| Bromide SCHEMBL28557676 | 0.86 | PNMT (0.95) | PNMTCD44MAOBDRD2DRD3 | |
| SCHEMBL13441 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL366688 | 0.82 | PNMT (0.95) | PNMTCD44MAOBDRD2DRD3 | |
| SCHEMBL11088 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL1427992 | 0.80 | PNMT (0.69) | PNMTHTR2CCD44MAOB | |
| Iodide SCHEMBL30536887 | 0.80 | PNMT (0.69) | PNMTHTR2CCD44MAOB | |
| Hydrochloric Acid SCHEMBL5317536 | 0.80 | PNMT (0.91) | PNMTCD44MAOB | |
| SCHEMBL562638 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8829006-B2 | Compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-09-09 | — | — | US | disclosed |
| US-20110195954-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-08-11 | — | — | 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-20110195954-A1 | NOVEL COMPOUNDS | CALCRL, CALCR, CALCA | PNMT 3074/4885HTR2C 546/4885ADCY6 1516/4885 |
“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.