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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | FABP5 | Q01469 | 3/20 | 0.45 |
| ▸ | FABP7 | O15540 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30014215 | 0.99 | KMT2A (0.47) | KMT2AFABP5FABP7POLBTSHR | |
| SCHEMBL2710008 | 0.99 | KMT2A (0.47) | KMT2AFABP5FABP7POLBTSHR | |
| SCHEMBL30134361 | 0.99 | KMT2A (0.47) | KMT2AFABP5FABP7POLBTSHR | |
| Hydrochloric Acid SCHEMBL34473593 | 0.97 | KMT2A (0.46) | KMT2AFABP5FABP7POLBTSHR | |
| Hydrochloric Acid SCHEMBL30156781 | 0.97 | KMT2A (0.46) | KMT2AFABP5FABP7POLBTSHR | |
| Hydrochloric Acid SCHEMBL956955 | 0.97 | KMT2A (0.46) | KMT2AFABP5FABP7POLBTSHR | |
| Hydrochloric Acid SCHEMBL31505574 | 0.96 | KMT2A (0.45) | KMT2AFABP5FABP7POLBTSHR | |
| SCHEMBL13327274 | 0.90 | POLB (0.52) | KMT2AFABP5FABP7POLBTSHR | |
| SCHEMBL22397770 | 0.90 | POLB (0.52) | KMT2AFABP5FABP7POLBTSHR | |
| SCHEMBL8222797 | 0.87 | TSHR (0.50) | KMT2AFABP5FABP7POLBTSHR |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1940814-B1 | PIPERAZINE DERIVATIVES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-05-22 | — | — | EP | disclosed |
| US-8067419-B2 | N-[(S)-1-benzyl-2-(4-benzyl-piperazin-1-yl)-2-oxo-ethyl]-N-(4-pentyl-benzyl)-3-(4-trifluoromethyl-phenyl)-acrylamide, for example; antiprotozoa agents | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-11-29 | — | — | US | disclosed |
| CN-101300241-A | Piperazine derivatives as antimalarial agents | ACTELION PHARMACEUTICALS LTD (CH) | 2008-11-05 | — | — | CN | disclosed |
| US-20080234272-A1 | Novel Piperazines as Antimalarial Agents | ACTELION PHARMACEUTICALS LTD. (CH) | 2008-09-25 | — | — | US | disclosed |
| EP-1940814-A1 | PIPERAZINE DERIVATIVES AS ANTIMALARIAL AGENTS | Actelion Pharmaceuticals Ltd. (CH) | 2008-07-09 | — | — | EP | disclosed |
| EP-1343775-B1 | PIPERAZINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-06-04 | — | — | EP | disclosed |
| WO-2007046075-A1 | PIPERAZINE DERIVATIVES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2007-04-26 | — | — | WO | disclosed |
| CN-1277824-C | Piperazine derivatives | HOFFMANN LA ROCHE (CH) | 2006-10-04 | — | — | CN | disclosed |
| US-7022707-B2 | Piperazine derivatives | HOFFMAN-LA ROCHE INC. (US) | 2006-04-04 | — | — | US | disclosed |
| US-20040235859-A1 | Novel piperazine derivatives | ADAMS DAVID REGINALD (GB) | 2004-11-25 | — | — | US | disclosed |
| CN-1533382-A | Piperazine derivatives | - | 2004-09-29 | — | — | CN | disclosed |
| EP-1343775-A2 | PIPERAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-09-17 | — | — | EP | disclosed |
| US-20020143020-A1 | Novel piperazine derivatives | VERNALIS RESEARCH LIMITED (GB) | 2002-10-03 | — | — | US | disclosed |
| WO-2002048124-A2 | PIPERAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-06-20 | — | — | WO | 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 (3 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-20080234272-A1 | Novel Piperazines as Antimalarial Agents | ITPA, PAK5, THPO | SIGMAR1 1408/4885KMT2A 1152/4885FABP5 2308/4885 |
| US-20020143020-A1 | Novel piperazine derivatives | CYP4B1, UGT1A1, CYP1B1 | SIGMAR1 27/4885KMT2A 1046/4885FABP5 2229/4885 |
| US-20040235859-A1 | Novel piperazine derivatives | CYP4B1, UGT1A1, CYP1B1 | SIGMAR1 27/4885KMT2A 1046/4885FABP5 2229/4885 |
“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.