Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13230097 | 0.99 | VCAM1 (0.50) | VCAM1POLBHTTKMT2AMEN1 | |
| Bromide SCHEMBL7898722 | 0.81 | XDH (0.50) | POLBHTTKMT2AMEN1ALDH1A1 | |
| Bromide SCHEMBL7292931 | 0.80 | MAPT (0.47) | HTTKMT2AALDH1A1MAPTHPGD | |
| Bromide SCHEMBL8323844 | 0.80 | DPP4 (0.47) | KMT2AALDH1A1MAPTCYP1A2CYP2C9 | |
| Bromide SCHEMBL8901631 | 0.80 | PPARG (0.43) | HTTKMT2AMEN1ALDH1A1MAPT | |
| Bromide SCHEMBL8899989 | 0.80 | P4HB (0.46) | ALDH1A1MAPTHPGDKDM4ECYP1A2 | |
| Bromide SCHEMBL10980300 | 0.80 | KDM4E (0.49) | ALDH1A1MAPTHPGDKDM4EGAA | |
| SCHEMBL2953971 | 0.79 | PDK1 (0.62) | VCAM1POLBHTTKMT2AMEN1 | |
| SCHEMBL544105 | 0.79 | VCAM1 (0.54) | VCAM1POLBHTTKMT2AMEN1 | |
| Bromide SCHEMBL11599708 | 0.79 | KDM4E (0.49) | KMT2AMEN1ALDH1A1MAPTHPGD |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7989617-B2 | Crown ether derivatives | Life Technologies Corporation (US) | 2011-08-02 | — | — | US | disclosed |
| US-20100047821-A1 | CROWN ETHER DERIVATIVES | Life Technologies Corporation (US) | 2010-02-25 | — | — | US | disclosed |
| US-7579463-B2 | Crown ether derivatives | Life Technologies Corporation (US) | 2009-08-25 | — | — | US | disclosed |
| EP-1660884-A4 | CROWN ETHER DERIVATIVES | MOLECULAR PROBES INC (US) | 2008-05-28 | — | — | EP | disclosed |
| US-20070043212-A1 | CROWN ETHER DERIVATIVES | MOLECULAR PROBES, INC. (US) | 2007-02-22 | — | — | US | disclosed |
| US-7129346-B2 | Crown ether derivatives | MOLECULAR PROBES, INC. (US) | 2006-10-31 | — | — | US | disclosed |
| EP-1660884-A2 | CROWN ETHER DERIVATIVES | Molecular Probes Inc. (US) | 2006-05-31 | — | — | EP | disclosed |
| US-6962992-B2 | Crown ether derivatives for use in enhancing transfer of indicators into viabile cells | MOLECULLAR PROBES, INC. (US) | 2005-11-08 | — | — | US | disclosed |
| WO-2005016874-A2 | CROWN ETHER DERIVATIVES | MOLECULAR PROBES, INC. (US) | 2005-02-24 | — | — | WO | disclosed |
| US-20040096978-A1 | Crown ether derivatives | MOLECULAR PROBES, INC. | 2004-05-20 | — | — | US | disclosed |
| US-20020164616-A1 | Crown ether derivatives | MOLECULAR PROBES, INC. (US) | 2002-11-07 | — | — | 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 (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-20100047821-A1 | CROWN ETHER DERIVATIVES | NCOR1, NCOR2, NCOA2 | VCAM1 3457/4885POLB 4802/4885HTT 4801/4885 |
| US-20070043212-A1 | CROWN ETHER DERIVATIVES | NCOR2, NCOR1, NCOA3 | VCAM1 4486/4885POLB 4705/4885HTT 4830/4885 |
| US-20020164616-A1 | Crown ether derivatives | CD2, SLC40A1, NCOA1 | VCAM1 427/4885POLB 4872/4885HTT 4871/4885 |
“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.