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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | OGA | O60502 | 1/20 | 0.36 |
| ▸ | AXL | P30530 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | GALR3 | O60755 | 1/20 | 0.35 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.35 |
| ▸ | ILK | Q13418 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7769240 | 0.99 | NPC1 (0.40) | NPC1RAB9ASMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL7856229 | 0.92 | NPC1 (0.42) | NPC1RAB9ASMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL7775409 | 0.88 | ALDH1A1 (0.45) | NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL7773492 | 0.85 | DRD2 (0.45) | NPC1RAB9ASMN1; SMN2 | |
| Bromide SCHEMBL7857770 | 0.83 | NPC1 (0.44) | NPC1RAB9ASMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL7775455 | 0.82 | NPC1 (0.44) | NPC1RAB9ASMN1; SMN2ALDH1A1TP53 | |
| Bromide SCHEMBL7773488 | 0.82 | NPC1 (0.43) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL7773395 | 0.81 | SIGMAR1 (0.46) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL27565726 | 0.81 | NPC1 (0.44) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPT | |
| Fumaric Acid SCHEMBL7775352 | 0.81 | KDM4E (0.42) | NPC1RAB9ASMN1; SMN2ALDH1A1TP53 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1325397-A | 2-piperazino alkylatnino benzoazole derivatives: dopamine receptor subtype sepcific ligands | NEUROGEN CORP (US) | 2001-12-05 | — | — | CN | claimed |
| EP-1117663-A2 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 2001-07-25 | — | — | EP | claimed |
| WO-2000018767-A9 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORP (US) | 2001-04-19 | — | — | WO | claimed |
| WO-2000018767-A2 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 2000-04-06 | — | — | WO | claimed |