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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 5/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | HPGD | P15428 | 4/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.58 |
| ▸ | MMP2 | P08253 | 2/20 | 0.58 |
| ▸ | EGFR | P00533 | 2/20 | 0.58 |
| ▸ | CA2 | P00918 | 2/20 | 0.58 |
| ▸ | FYN | P06241 | 2/20 | 0.58 |
| ▸ | MMP9 | P14780 | 2/20 | 0.58 |
| ▸ | RECQL | P46063 | 2/20 | 0.58 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.58 |
| ▸ | MMP8 | P22894 | 1/20 | 0.58 |
| ▸ | CA6 | P23280 | 1/20 | 0.58 |
| ▸ | CDK2 | P24941 | 1/20 | 0.58 |
| ▸ | MMP12 | P39900 | 1/20 | 0.58 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL5556 | 0.97 | — | — | |
| SCHEMBL29353801 | 0.97 | — | — | |
| SCHEMBL9187091 | 0.94 | ALOX15 (0.58) | ALOX15ALDH1A1HPGDHSD17B10LMNA | |
| Water SCHEMBL11319348 | 0.94 | ALOX15 (0.58) | ALOX15ALDH1A1HPGDHSD17B10LMNA | |
| Hydrochloric Acid SCHEMBL2293230 | 0.94 | ALOX15 (0.58) | ALOX15ALDH1A1HPGDHSD17B10LMNA | |
| Methoxymethane SCHEMBL28753285 | 0.87 | ALDH1A1 (0.54) | ALOX15ALDH1A1HPGDHSD17B10LMNA | |
| Carbamic Acid SCHEMBL22687909 | 0.85 | MMP2 (0.57) | ALOX15ALDH1A1HPGDHSD17B10LMNA | |
| SCHEMBL1172644 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL10875382 | 0.79 | MMP2 (0.54) | ALOX15ALDH1A1HPGDHSD17B10LMNA | |
| Pyrophosphoric Acid SCHEMBL15109838 | 0.79 | ALOX15 (0.41) | ALOX15ALDH1A1HPGDHSD17B10LMNA |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3009437-A1 | A CATECHOLAMINE DERIVATIVE USEFUL FOR THE TREATMENT OF PARKINSON'S DISEASE | H. Lundbeck A/S (DK) | 2016-04-20 | — | — | EP | disclosed |
| EP-2197883-B1 | Catecholamine derivative useful for the treatment of parkinson's disease | LUNDBECK & CO AS H (DK) | 2015-11-18 | — | — | EP | disclosed |
| EP-2662358-A1 | Catecholamine derivatives and prodrugs thereof | H. Lundbeck A/S (DK) | 2013-11-13 | — | — | EP | disclosed |
| US-8129530-B2 | Catecholamine derivatives and prodrugs thereof | H. LUNDBECK A/S (DK) | 2012-03-06 | — | — | US | disclosed |
| EP-2197883-A1 | CATECHOLAMINE DERIVATIVES USEFUL FOR THE TREATMENT OF PARKINSON' S DISEASE | H. Lundbeck A/S (DK) | 2010-06-23 | — | — | EP | disclosed |
| EP-2195291-A1 | CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF | H. Lundbeck A/S (DK) | 2010-06-16 | — | — | EP | disclosed |
| US-20090124651-A1 | CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF | H. LUNDBECK A/S (DK) | 2009-05-14 | — | — | US | disclosed |
| WO-2009026934-A1 | CATECHOLAMINE DERIVATIVES USEFUL FOR THE TREATMENT OF PARKINSON' S DISEASE | H. LUNDBECK A/S (DK) | 2009-03-05 | — | — | WO | disclosed |
| WO-2009026935-A1 | CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF | H. LUNDBECK A/S (DK) | 2009-03-05 | — | — | WO | disclosed |
| US-20090062324-A1 | CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF | H. LUNDBECK A/S (DK) | 2009-03-05 | — | — | 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 (2 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-20090124651-A1 | CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF | COMT, ADRB3, ADRB1 | ALOX15 936/4885ALDH1A1 287/4885HPGD 187/4885 |
| US-20090062324-A1 | CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF | COMT, ADRB3, ADRB1 | ALOX15 936/4885ALDH1A1 287/4885HPGD 187/4885 |
“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.