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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.33 |
| ▸ | SLC6A4 known ✓ | P31645 | 3/20 | 0.33 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | AOC1 | P19801 | 7/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 7/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.33 |
| ▸ | GALR3 | O60755 | 1/20 | 0.33 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.33 |
| ▸ | NFATC1 | O95644 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | CDC25B | P30305 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30532230 | 0.98 | — | — | |
| SCHEMBL844103 | 0.98 | — | — | |
| SCHEMBL27757856 | 0.81 | GAA (0.43) | GAAAOC1AOC3LOXL2GALR3 | |
| SCHEMBL18149911 | 0.80 | — | — | |
| Bromide SCHEMBL18547351 | 0.79 | AOC1 (0.41) | GAAAOC1AOC3LOXL2SLC6A2 | |
| SCHEMBL4353616 | 0.77 | — | — | |
| SCHEMBL8002207 | 0.77 | AOC1 (0.43) | GAAAOC1AOC3LOXL2SLC6A2 | |
| SCHEMBL6170187 | 0.76 | — | — | |
| SCHEMBL4172669 | 0.76 | — | — | |
| SCHEMBL3291159 | 0.76 | — | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2432776-B1 | METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS | UNIV LAVAL (CA) | 2019-09-11 | — | — | EP | disclosed |
| US-9315521-B2 | Pyrimidines as novel therapeutic agents | UNIVERSITé LAVAL (CA) | 2016-04-19 | — | — | US | disclosed |
| EP-2776442-B1 | [1, 2, 3]TRIAZOLO [4, 5 -D]PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 | HOFFMANN LA ROCHE (CH) | 2015-10-21 | — | — | EP | disclosed |
| EP-2782915-B1 | [1,2,3]TRIAZOLO[4,5-d]PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 AGONISTS | HOFFMANN LA ROCHE (CH) | 2015-09-30 | — | — | EP | disclosed |
| US-20150225423-A1 | PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS | UNIVERSITé LAVAL (CA) | 2015-08-13 | — | — | US | disclosed |
| US-9067943-B2 | [1,2,3]triazolo[4,5-D]pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2015-06-30 | — | — | US | disclosed |
| US-9056866-B2 | [1,2,3]triazolo[4,5-D]pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2015-06-16 | — | — | US | disclosed |
| US-9040538-B2 | Pyrimidines as novel therapeutic agents | UNIVERSITE LAVAL (CA) | 2015-05-26 | — | — | US | disclosed |
| EP-2782915-A1 | [1, 2, 3]TRIAZOLO [4, 5 -D]PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 AGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-10-01 | — | — | EP | disclosed |
| US-20140288046-A1 | NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2014-09-25 | — | — | US | disclosed |
| EP-2776442-A1 | [1, 2, 3]TRIAZOLO [4, 5 -D]PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 | F.HOFFMANN-LA ROCHE AG (CH) | 2014-09-17 | — | — | EP | disclosed |
| US-8741906-B2 | [1,2,3]triazolo[4,5-D]pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2014-06-03 | — | — | US | disclosed |
| US-20130137676-A1 | NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2013-05-30 | — | — | US | disclosed |
| WO-2013076182-A1 | [1, 2, 3]TRIAZOLO [4, 5 -D] PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-05-30 | — | — | WO | disclosed |
| WO-2013068306-A1 | [1, 2, 3] TRIAZOLO [4, 5 -D] PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 | F. HOFFMANN-LA ROCHE AG (CH) | 2013-05-16 | — | — | WO | disclosed |
| US-20130116236-A1 | NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2013-05-09 | — | — | US | disclosed |
| EP-2432776-A1 | METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS | Chlorion Pharma, Inc. (CA) | 2012-03-28 | — | — | EP | disclosed |
| US-20100298336-A1 | PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS | UNIVERSITE LAVAL (CA) | 2010-11-25 | — | — | US | disclosed |
| WO-2010132999-A1 | METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS | CHLORION PHARMA, INC. (CA) | 2010-11-25 | — | — | 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 (5 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-20100298336-A1 | PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS | TYMS, P2RX2, TYMP | SLC6A2 1758/4885SLC6A4 2827/4885SLC6A3 4103/4885 |
| US-20130116236-A1 | NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES | TYMS, TBXA2R, TYMP | SLC6A2 2590/4885SLC6A4 1678/4885SLC6A3 2270/4885 |
| US-20150225423-A1 | PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS | TYMS, P2RX2, TYMP | SLC6A2 1758/4885SLC6A4 2827/4885SLC6A3 4103/4885 |
| US-20130137676-A1 | NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES | TYMS, TBXA2R, TYMP | SLC6A2 2517/4885SLC6A4 1425/4885SLC6A3 1589/4885 |
| US-20140288046-A1 | NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES | TYMS, TBXA2R, TYMP | SLC6A2 2590/4885SLC6A4 1678/4885SLC6A3 2270/4885 |
“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.