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 | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | RARA | P10276 | 4/20 | 0.41 |
| ▸ | RARB | P10826 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | RARG | P13631 | 3/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | QPCT | Q16769 | 1/20 | 0.36 |
| ▸ | PLAT | P00750 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1549933 | 0.99 | HPGDS (0.51) | HPGDSL3MBTL1SMN1; SMN2LMNARARA | |
| Hydrochloric Acid SCHEMBL1802873 | 0.98 | HPGDS (0.50) | HPGDSL3MBTL1SMN1; SMN2LMNARARA | |
| SCHEMBL12620715 | 0.93 | HPGDS (0.52) | HPGDSL3MBTL1SMN1; SMN2LMNARARA | |
| SCHEMBL2221943 | 0.92 | HPGDS (0.44) | HPGDSL3MBTL1SMN1; SMN2LMNARARA | |
| Bromide SCHEMBL12805678 | 0.86 | BAZ2A (0.43) | HPGDSL3MBTL1SMN1; SMN2LMNARARA | |
| SCHEMBL12620697 | 0.85 | HPGDS (0.46) | HPGDSL3MBTL1SMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL2225122 | 0.85 | BAZ2A (0.43) | HPGDSL3MBTL1SMN1; SMN2LMNARARA | |
| SCHEMBL12620694 | 0.85 | HPGDS (0.47) | HPGDSL3MBTL1SMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL2354694 | 0.84 | RARA (0.42) | HPGDSL3MBTL1SMN1; SMN2LMNARARA | |
| SCHEMBL12517367 | 0.84 | HPGDS (0.47) | HPGDSL3MBTL1SMN1; SMN2LMNAALDH1A1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8907098-B2 | Inhibitors of sphingosine kinase | MERCK PATENT GMBH (DE) | 2014-12-09 | — | — | US | disclosed |
| US-8436186-B2 | Thiazolyl piperidine derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2013-05-07 | — | — | US | disclosed |
| US-20120252815-A1 | INHIBITORS OF SPHINGOSINE KINASE | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2012-10-04 | — | — | US | disclosed |
| US-20110105505-A1 | THIAZOLYL PIPERIDINE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 2011-05-05 | — | — | US | disclosed |
| US-7786143-B2 | Thiazolyl piperidine derivatives | HOFFMAN-LA ROCHE INC. (US) | 2010-08-31 | — | — | US | disclosed |
| EP-1945635-B1 | THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS | HOFFMANN LA ROCHE (CH) | 2009-05-06 | — | — | EP | disclosed |
| EP-1945635-A2 | THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-07-23 | — | — | EP | disclosed |
| US-20070043083-A1 | Thiazolyl piperidine derivatives | HOFFMANN-LA ROCHE INC. | 2007-02-22 | — | — | US | disclosed |
| WO-2007020213-A2 | THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-02-22 | — | — | 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-20070043083-A1 | Thiazolyl piperidine derivatives | HRH3, HRH4, H1-3 | HPGDS 658/4885L3MBTL1 3337/4885SMN1; SMN2 3880/4885 |
| US-20110105505-A1 | THIAZOLYL PIPERIDINE DERIVATIVES | SPHK1, S1PR1, SPHK2 | HPGDS 1318/4885L3MBTL1 514/4885SMN1; SMN2 2628/4885 |
| US-20120252815-A1 | INHIBITORS OF SPHINGOSINE KINASE | SPHK1, S1PR3, SPHK2 | HPGDS 1424/4885L3MBTL1 1151/4885SMN1; SMN2 613/4885 |
“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.