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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.37 |
| ▸ | TOP2A | P11388 | 1/20 | 0.41 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.41 |
| ▸ | TYMP | P19971 | 2/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.39 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 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 | |
|---|---|---|---|---|
| SCHEMBL10077180 | 0.98 | — | — | |
| SCHEMBL6780773 | 0.77 | — | — | |
| SCHEMBL2952935 | 0.76 | TOP2A (0.40) | TOP2ATOP2B | |
| Bromide SCHEMBL4391975 | 0.75 | TYMP (0.37) | TYMPCHRNB2CHRNA4CHRNA1CHRNA3 | |
| SCHEMBL10076591 | 0.73 | MEN1 (0.39) | TYMPCHRNB2CHRNA4CHRNA1CHRNA3 | |
| SCHEMBL1831917 | 0.72 | — | — | |
| SCHEMBL14029061 | 0.72 | CYP1A2 (0.43) | TOP2ATOP2BCYP1A2 | |
| SCHEMBL8112506 | 0.72 | MEN1 (0.41) | CHRNB2CHRNA4CHRNA1CHRNA3CHRNA7 | |
| SCHEMBL10077164 | 0.72 | CHRNB2 (0.37) | TYMPCHRNB2CHRNA4CHRNA1CHRNA3 | |
| SCHEMBL18233634 | 0.72 | SMN1; SMN2 (0.47) | TYMPCHRNB2CHRNA4CHRNA1CHRNA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1919921-B1 | BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2012-06-27 | — | — | EP | disclosed |
| US-7494984-B2 | Substituted imidazo[1,2-a]pyrimidines as HIV viral DNA integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-02-24 | — | — | US | disclosed |
| EP-1919921-A1 | BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007027754-A1 | BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-03-08 | — | — | WO | disclosed |
| US-20070049606-A1 | Bicyclic heterocycles as HIV-integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2007-03-01 | — | — | 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 (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-20070049606-A1 | Bicyclic heterocycles as HIV-integrase inhibitors | CCNI, APOBEC3C, CDKN1A | SIGMAR1 3960/4885TOP2A 48/4885TOP2B 32/4885 |
“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.