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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.42 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.42 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.42 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.42 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 2/20 | 0.42 |
| ▸ | CASP7 | P55210 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL87054 | 0.98 | ADORA2A (0.49) | ADORA2AKDM4EHPGDHSD17B10ALDH1A1 | |
| SCHEMBL7328377 | 0.77 | MAOA (0.44) | ADORA2AKDM4EHPGDHSD17B10ALDH1A1 | |
| SCHEMBL12145651 | 0.77 | KDM4E (0.51) | KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2 | |
| SCHEMBL12145673 | 0.76 | POLB (0.59) | KDM4EHPGDALDH1A1SMN1; SMN2ADORA3 | |
| SCHEMBL22742859 | 0.76 | IKBKB (0.46) | ADORA2AALDH1A1ACHEADRA1A | |
| SCHEMBL22743006 | 0.76 | ADORA2A (0.46) | ADORA2AACHEHTT | |
| SCHEMBL22717083 | 0.76 | ADORA2A (0.42) | ADORA2AMAPK8 | |
| SCHEMBL38658652 | 0.74 | ADORA2A (0.48) | ADORA2ASMN1; SMN2ADORA3 | |
| SCHEMBL9659892 | 0.73 | LMNA (0.47) | KDM4EHPGDHSD17B10ALDH1A1GLA | |
| SCHEMBL14359932 | 0.73 | ABL1 (0.44) | KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2 |
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-8129386-B2 | Fused azole-pyrimidine derivatives | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-03-06 | — | — | US | disclosed |
| EP-2042504-B1 | Fused azole-pyrimidine derivatives | BAYER SCHERING PHARMA AG (DE) | 2011-06-01 | — | — | EP | disclosed |
| US-20090270388-A1 | FUSED AZOLE-PYRIMIDINE DERIVATIVES | BAYER PHARMACEUTICALS CORPORATION (US) | 2009-10-29 | — | — | US | disclosed |
| EP-2042504-A1 | Fused azole-pyrimidine derivatives | Bayer HealthCare AG (DE) | 2009-04-01 | — | — | EP | disclosed |
| US-7511041-B2 | Fused azole-pyrimidine derivatives | BAYER PHARMACEUTICALS CORPORATION (US) | 2009-03-31 | — | — | US | disclosed |
| EP-1549652-B1 | FUSED AZOLE-PYRIMIDINE DERIVATIVES | BAYER HEALTHCARE AG (DE) | 2008-10-22 | — | — | EP | disclosed |
| US-20060128732-A1 | Fused azole-pyrimidine derivatives | BAYER PHARMACEUTICALS CORPORATION (US) | 2006-06-15 | — | — | US | disclosed |
| EP-1549652-A1 | FUSED AZOLE-PYRIMIDINE DERIVATIVES | Bayer Pharmaceuticals Corporation (US) | 2005-07-06 | — | — | EP | disclosed |
| WO-2004029055-A1 | FUSED AZOLE-PYRIMIDINE DERIVATIVES | BAYER PHARMACEUTICALS CORPORATION (US) | 2004-04-08 | — | — | 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 (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-20090270388-A1 | FUSED AZOLE-PYRIMIDINE DERIVATIVES | PIK3CA, PIK3CD, PIK3R5 | CHRM2 1010/4885ADRA2A 883/4885ACHE 1105/4885 |
| US-20060128732-A1 | Fused azole-pyrimidine derivatives | PIK3CA, PIK3CD, PIK3CG | CHRM2 1431/4885ADRA2A 904/4885ACHE 1961/4885 |
“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.