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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.65 |
| ▸ | IDO1 | P14902 | 16/20 | 0.50 |
| ▸ | HTT | P42858 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.46 |
| ▸ | NOS1 | P29475 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.43 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.41 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.41 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.41 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.41 |
| ▸ | ATP1A2 | P50993 | 1/20 | 0.41 |
| ▸ | ATP1B3 | P54709 | 1/20 | 0.41 |
| ▸ | FXYD2 | P54710 | 1/20 | 0.41 |
| ▸ | ATP1A4 | Q13733 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10195920 | 0.98 | BACE1 (0.67) | BACE1IDO1HTTLMNASMN1; SMN2 | |
| SCHEMBL13007602 | 0.75 | BACE1 (0.77) | BACE1IDO1HTTLMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL2891486 | 0.74 | BACE1 (0.75) | BACE1IDO1HTTLMNASMN1; SMN2 | |
| Bromide SCHEMBL4167290 | 0.73 | SLC11A2 (0.53) | BACE1IDO1HTTSMN1; SMN2NOS1 | |
| SCHEMBL14355146 | 0.72 | IDO1 (0.73) | BACE1IDO1NOS1 | |
| Bromide SCHEMBL20920184 | 0.72 | BACE1 (0.67) | BACE1IDO1HTTLMNASMN1; SMN2 | |
| SCHEMBL13007599 | 0.72 | CYP1A2 (0.64) | BACE1IDO1HTTLMNASMN1; SMN2 | |
| SCHEMBL13007594 | 0.72 | BACE1 (0.77) | BACE1IDO1HTTLMNASMN1; SMN2 | |
| SCHEMBL13908675 | 0.71 | SLC11A2 (0.54) | BACE1IDO1SMN1; SMN2NOS1CYP1A2 | |
| Hydrochloric Acid SCHEMBL3109307 | 0.70 | BACE1 (0.75) | BACE1IDO1HTTLMNASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8569301-B2 | 6, 6-dioxo-6-thia-1, 4-diaza-naphthalenes as herbicides | SYNGENTA LIMITED (GB) | 2013-10-29 | — | — | US | disclosed |
| EP-2430028-B1 | HERBICIDAL COMPOUNDS | SYNGENTA LTD (GB) | 2013-08-28 | — | — | EP | disclosed |
| US-20120115726-A1 | HERBICIDAL COMPOUNDS | SYNGENTA CROP PROTECTION LLC (US) | 2012-05-10 | — | — | US | disclosed |
| EP-2430028-A1 | HERBICIDAL COMPOUNDS | Syngenta Limited (GB) | 2012-03-21 | — | — | EP | disclosed |
| WO-2010130970-A1 | HERBICIDAL COMPOUNDS | SYNGENTA LIMITED (GB) | 2010-11-18 | — | — | 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-20120115726-A1 | HERBICIDAL COMPOUNDS | DDT, NAT1, DDAH1 | BACE1 3937/4885IDO1 240/4885HTT 1578/4885 |
“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.