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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.33 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.33 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.35 |
| ▸ | GPX4 | P36969 | 1/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 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 | |
|---|---|---|---|---|
| SCHEMBL3276410 | 0.81 | ALDH1A1 (0.40) | S1PR1ADRA2AADRA2BADRA2CADRA1D | |
| Hydrochloric Acid SCHEMBL3275985 | 0.80 | ALDH1A1 (0.43) | S1PR1ADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL3275925 | 0.75 | ADRA2A (0.36) | S1PR1ADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL3280267 | 0.75 | S1PR1 (0.40) | S1PR1ADRA2AADRA2BADRA2CADRA1D | |
| Hydrochloric Acid SCHEMBL3280505 | 0.74 | ADRA2A (0.35) | S1PR1ADRA2AADRA2BADRA2CADRA1D | |
| Hydrochloric Acid SCHEMBL3276741 | 0.74 | S1PR1 (0.39) | S1PR1ADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL6833691 | 0.71 | KCNH2 (0.48) | S1PR1ADRA2AADRA2BADRA2CCD274 | |
| SCHEMBL1886713 | 0.69 | FABP6 (0.45) | S1PR1ADRA2ACD274 | |
| SCHEMBL22131607 | 0.69 | ALDH1A1 (0.50) | S1PR1ADRA2AADRA2BADRA2CCD274 | |
| SCHEMBL3276234 | 0.67 | RIPK1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2123644-B1 | BENZOXAZEPINE DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2014-12-17 | — | — | EP | disclosed |
| US-8247403-B2 | Benzoxazepine derivatives and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-08-21 | — | — | US | disclosed |
| US-20100087418-A1 | BENZOXAZEPINE DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-04-08 | — | — | US | disclosed |
| EP-2123644-A1 | BENZOXAZEPINE DERIVATIVES AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-11-25 | — | — | 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-20100087418-A1 | BENZOXAZEPINE DERIVATIVES AND USE THEREOF | HTR2C, HTR5A, HTR2B | ADRA2A 68/4885ADRA2B 56/4885ADRA2C 17/4885 |
“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.