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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.46 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.46 |
| ▸ | PNMT | P11086 | 7/20 | 0.65 |
| ▸ | PRCP | P42785 | 1/20 | 0.54 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.52 |
| ▸ | BAD | Q92934 | 1/20 | 0.52 |
| ▸ | CD44 | P16070 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29914246 | 0.98 | PNMT (0.67) | PNMTPRCPBCL2L1BADCD44 | |
| SCHEMBL3157785 | 0.98 | PNMT (0.67) | PNMTPRCPBCL2L1BADCD44 | |
| Hydrochloric Acid SCHEMBL15056499 | 0.96 | PNMT (0.65) | PNMTPRCPBCL2L1BADCD44 | |
| Acetic Acid SCHEMBL5459374 | 0.88 | PNMT (0.56) | PNMTPRCPBCL2L1BADCD44 | |
| SCHEMBL11597488 | 0.87 | BCL2L1 (0.60) | PNMTPRCPBCL2L1BADCD44 | |
| Bromide SCHEMBL11065746 | 0.86 | BCL2L1 (0.59) | PNMTPRCPBCL2L1BADCD44 | |
| Bromide SCHEMBL22117637 | 0.85 | CD44 (0.59) | PNMTPRCPBCL2L1BADCD44 | |
| SCHEMBL508243 | 0.84 | BCL2L1 (0.61) | PNMTPRCPBCL2L1BADCD44 | |
| SCHEMBL30826977 | 0.82 | CD44 (0.61) | PNMTPRCPBCL2L1BADCD44 | |
| SCHEMBL1956718 | 0.82 | CD44 (0.61) | PNMTPRCPBCL2L1BADCD44 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9738661-B2 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-08-22 | — | — | US | disclosed |
| US-20150266897-A1 | HCV NS3 Protease Inhibitors | MSD ITALIA S.R.L. (IT) | 2015-09-24 | — | — | US | disclosed |
| EP-1910404-B9 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2014-05-21 | — | — | EP | disclosed |
| EP-1910404-B1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2013-11-27 | — | — | EP | disclosed |
| US-8216999-B2 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2012-07-10 | — | — | US | disclosed |
| US-20100099695-A1 | HCV NS3 Protease Inhibitors | MSD ITALIA S.R.L. (IT) | 2010-04-22 | — | — | US | disclosed |
| EP-2086982-A1 | HCV NS3 PROTEASE INHIBITORS | Merck & Co., Inc. (US) | 2009-08-12 | — | — | EP | disclosed |
| US-20090124661-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2009-05-14 | — | — | US | disclosed |
| US-7470664-B2 | HCV NS3 protease inhibitors | MERCK & CO., INC. (US) | 2008-12-30 | — | — | US | disclosed |
| WO-2008057209-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2008-05-15 | — | — | WO | disclosed |
| EP-1910404-A1 | HCV NS3 PROTEASE INHIBITORS | Merck & Co., Inc. (US) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007015855-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2007-02-08 | — | — | WO | disclosed |
| US-20070027071-A1 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME LLC | 2007-02-01 | — | — | 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 (4 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-20070027071-A1 | HCV NS3 protease inhibitors | HAVCR2, GTF3C3, CTSC | ADRA2A 4791/4885ADRA2B 4719/4885ADRA2C 4534/4885 |
| US-20100099695-A1 | HCV NS3 Protease Inhibitors | HAVCR2, GTF3C3, CTSC | ADRA2A 4791/4885ADRA2B 4719/4885ADRA2C 4534/4885 |
| US-20090124661-A1 | HCV NS3 PROTEASE INHIBITORS | HAVCR2, GTF3C3, CTSC | ADRA2A 4791/4885ADRA2B 4719/4885ADRA2C 4534/4885 |
| US-20150266897-A1 | HCV NS3 Protease Inhibitors | HAVCR2, GTF3C3, CTSC | ADRA2A 4791/4885ADRA2B 4719/4885ADRA2C 4534/4885 |
“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.