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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.47 |
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 3/20 | 0.41 |
| ▸ | AXL | P30530 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7775460 | 0.99 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2LRRK2ALDH1A1 | |
| Bromide SCHEMBL27545758 | 0.93 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2LRRK2ALDH1A1 | |
| SCHEMBL27565727 | 0.92 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2LRRK2ALDH1A1 | |
| SCHEMBL7773388 | 0.87 | DRD3 (0.51) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL7775350 | 0.86 | DRD3 (0.50) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL7775417 | 0.84 | DRD2 (0.45) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL7856234 | 0.84 | OGA (0.43) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPT | |
| Bromide SCHEMBL27565694 | 0.84 | NPC1 (0.42) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPT | |
| Benzene SCHEMBL27545639 | 0.84 | NPC1 (0.42) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL7520382 | 0.84 | DHFR (0.44) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPT |
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 2 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 |
| WO-2000018767-A9 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORP (US) | 2001-04-19 | — | — | WO | disclosed |