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 | 12/20 | 0.66 |
| ▸ | RAB9A | P51151 | 12/20 | 0.66 |
| ▸ | MAPT | P10636 | 3/20 | 0.66 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.66 |
| ▸ | HTT | P42858 | 1/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | MEN1 | O00255 | 4/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.60 |
| ▸ | HPGD | P15428 | 3/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.60 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.60 |
| ▸ | RELA | Q04206 | 2/20 | 0.60 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.60 |
| ▸ | TP53 | P04637 | 3/20 | 0.57 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | KLK7 | P49862 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL3349551 | 1.00 | NPC1 (0.66) | NPC1RAB9AMAPTOPRK1HTT | |
| SCHEMBL12225801 | 0.99 | NPC1 (0.67) | NPC1RAB9AMAPTOPRK1HTT | |
| SCHEMBL3347454 | 0.90 | NPC1 (0.57) | NPC1RAB9AMAPTOPRK1HTT | |
| SCHEMBL3347446 | 0.90 | NPC1 (0.57) | NPC1RAB9AMAPTOPRK1HTT | |
| SCHEMBL13329540 | 0.89 | NPC1 (0.73) | NPC1RAB9AMAPTOPRK1HTT | |
| SCHEMBL12225797 | 0.86 | HSD17B1 (0.62) | NPC1RAB9AMAPTOPRK1HTT | |
| Bromide SCHEMBL3347346 | 0.85 | NPC1 (0.69) | NPC1RAB9AMAPTHTTSMN1; SMN2 | |
| Bromide SCHEMBL3347342 | 0.85 | NPC1 (0.69) | NPC1RAB9AMAPTHTTSMN1; SMN2 | |
| SCHEMBL12199344 | 0.85 | NPC1 (0.67) | NPC1RAB9AMAPTOPRK1HTT | |
| SCHEMBL12199355 | 0.85 | NPC1 (0.67) | NPC1RAB9AMAPTOPRK1HTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010066357-A1 | BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-06-17 | — | — | WO | claimed |
| WO-2010066357-A1 | BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-06-17 | — | — | WO | disclosed |