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 | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.54 |
| ▸ | NOS1 | P29475 | 2/20 | 0.54 |
| ▸ | NOS2 | P35228 | 2/20 | 0.54 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.53 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.53 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.42 |
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1677732 | 0.99 | NOS3 (0.55) | NOS3NOS1NOS2CSNK2A2CSNK2B | |
| SCHEMBL1678350 | 0.89 | CSNK2A2 (0.65) | NOS3NOS1NOS2CSNK2A2CSNK2B | |
| SCHEMBL6067727 | 0.75 | RAB9A (0.43) | NOS3NOS1NOS2KMT2ANPC1 | |
| SCHEMBL9048452 | 0.73 | NPC1 (0.60) | KMT2ANPC1RAB9AKDM4EMEN1 | |
| SCHEMBL6962792 | 0.72 | KCNK3 (0.54) | KMT2ANPC1RAB9AMEN1MAPT | |
| Iodide SCHEMBL6957865 | 0.72 | NPC1 (0.58) | KMT2ANPC1RAB9AKDM4EMEN1 | |
| SCHEMBL1678236 | 0.72 | CSNK2A2 (0.47) | NOS3NOS1NOS2CSNK2A2CSNK2B | |
| Bromide SCHEMBL5212102 | 0.72 | NOS1 (0.97) | NOS3NOS1NOS2 | |
| SCHEMBL11770131 | 0.71 | CLK1 (0.57) | KMT2ANPC1RAB9AKDM4EMEN1 | |
| SCHEMBL1677735 | 0.70 | NOS1 (1.00) | NOS3NOS1NOS2 |
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-1539724-B1 | AMINO BENZOTHIAZOLE COMPOUNDS WITH NOS INHIBITORY ACTIVITY | NEURAXON INC (CA) | 2007-10-10 | — | — | EP | disclosed |
| US-7141595-B2 | Amino benzothiazole compounds with NOS inhibitory activity | NEURAXON INC. (CA) | 2006-11-28 | — | — | US | disclosed |
| US-20050209291-A1 | N-(2-Amino-benzothiazol-6-yl)-ethylthiocarboximidamide or other amino benzothiazole derivatives as neuroprotectants and for the treatment of neuropathic pain | NEURAXON INC. (CA) | 2005-09-22 | — | — | US | disclosed |
| EP-1539724-A1 | AMINO BENZOTHIAZOLE COMPOUNDS WITH NOS INHIBITORY ACTIVITY | Neuraxon Inc. (CA) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004014885-A1 | AMINO BENZOTHIAZOLE COMPOUNDS WITH NOS INHIBITORY ACTIVITY | NEURAXON INC. (CA) | 2004-02-19 | — | — | 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-20050209291-A1 | N-(2-Amino-benzothiazol-6-yl)-ethylthiocarboximidamide or other amino benzothiazole derivatives as neuroprotectants and for the treatment of neuropathic pain | GAP43, NLN, TRPV1 | NOS3 377/4885NOS1 670/4885NOS2 363/4885 |
“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.