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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR7 | Q9NYK1 | 17/20 | 0.47 |
| ▸ | TLR8 | Q9NR97 | 10/20 | 0.47 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.40 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.40 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PTGES | O14684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL842948 | 0.87 | TLR7 (0.54) | TLR7TLR8NUDT1 | |
| Bromide SCHEMBL842593 | 0.84 | TLR7 (0.54) | TLR7TLR8NUDT1 | |
| SCHEMBL3862179 | 0.76 | TLR7 (0.68) | TLR7TLR8NUDT1 | |
| SCHEMBL3861879 | 0.74 | TLR7 (0.69) | TLR7TLR8NUDT1 | |
| SCHEMBL3865574 | 0.73 | TLR7 (0.63) | TLR7TLR8NUDT1 | |
| SCHEMBL21310822 | 0.73 | BACE1 (0.41) | TLR8NUDT1PIK3CA | |
| SCHEMBL30583288 | 0.72 | TLR7 (0.78) | TLR7TLR8NUDT1 | |
| Bromide SCHEMBL843049 | 0.72 | TLR7 (0.43) | TLR7TLR8NUDT1 | |
| SCHEMBL3865803 | 0.72 | TLR7 (0.63) | TLR7TLR8NUDT1 | |
| SCHEMBL3867634 | 0.72 | TLR7 (0.52) | TLR7TLR8NUDT1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8143270-B2 | 2-amino 1H-in-imidazo ring systems and methods | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2012-03-27 | — | — | US | disclosed |
| EP-1784180-A4 | 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS | 3M INNOVATIVE PROPERTIES CO (US) | 2009-07-22 | — | — | EP | disclosed |
| US-20090023720-A1 | 2-Amino 1H-Imidazo Ring Systems and Methods | 3M INNOVATIVE PROPERTIES COMPANY | 2009-01-22 | — | — | US | disclosed |
| EP-1784180-A2 | 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2007-05-16 | — | — | EP | disclosed |
| WO-2006029115-A2 | 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2006-03-16 | — | — | 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 (1 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-20090023720-A1 | 2-Amino 1H-Imidazo Ring Systems and Methods | IL2, IL2RA, IL4I1 | TLR7 110/4885TLR8 262/4885HSP90B1 824/4885 |
“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.