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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 14/20 | 0.67 |
| ▸ | RAB9A | P51151 | 6/20 | 0.63 |
| ▸ | NPC1 | O15118 | 4/20 | 0.63 |
| ▸ | AXL | P30530 | 1/20 | 0.62 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.62 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.62 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.62 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.57 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
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 SCHEMBL7215820 | 0.87 | KDM4E (0.59) | CYP19A1RAB9ANPC1KDM4EMAPT | |
| SCHEMBL3199919 | 0.86 | CYP19A1 (0.62) | CYP19A1RAB9ANPC1AXLPBRM1 | |
| Bromide SCHEMBL7221661 | 0.84 | CYP19A1 (0.60) | CYP19A1RAB9ANPC1AXLPBRM1 | |
| SCHEMBL7220996 | 0.83 | RAB9A (0.76) | CYP19A1RAB9ANPC1AXLPBRM1 | |
| SCHEMBL27538606 | 0.82 | CYP19A1 (0.61) | CYP19A1RAB9ANPC1AXLPBRM1 | |
| SCHEMBL3185308 | 0.82 | RAB9A (0.74) | CYP19A1RAB9ANPC1AXLPBRM1 | |
| SCHEMBL13130545 | 0.82 | CYP17A1 (0.57) | CYP19A1RAB9ANPC1AXLPBRM1 | |
| SCHEMBL3185301 | 0.81 | CYP19A1 (0.69) | CYP19A1RAB9ANPC1AXLPBRM1 | |
| SCHEMBL7215145 | 0.81 | MAPT (0.61) | RAB9ANPC1KDM4EMAPTSMN1; SMN2 | |
| SCHEMBL211587 | 0.81 | ALDH1A1 (0.69) | RAB9ANPC1KDM4EMAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6545009-B1 | Imidazole, oxazole and thiazole derivatives for regulation of peroxisome proliferator-activated receptor function; improving insulin resistance, treating impaired glucose tolerance and obesity, enhancing insulin sensitivity, etc. | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-04-08 | — | — | US | disclosed |
| EP-1092711-A1 | RETINOID-ASSOCIATED RECEPTOR REGULATORS | Takeda Chemical Industries, Ltd. (JP) | 2001-04-18 | — | — | EP | disclosed |