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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.58 |
| ▸ | RAB9A | P51151 | 5/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.58 |
| ▸ | NPC1 | O15118 | 3/20 | 0.58 |
| ▸ | CDK5 | Q00535 | 6/20 | 0.57 |
| ▸ | CDK5R1 | Q15078 | 6/20 | 0.57 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.57 |
| ▸ | CDC7 | O00311 | 5/20 | 0.53 |
| ▸ | DBF4 | Q9UBU7 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | AR | P10275 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7220981 | 0.89 | RAB9A (0.67) | KDM4ERAB9ASMN1; SMN2NPC1CDC7 | |
| SCHEMBL7217168 | 0.88 | KDM4E (0.66) | KDM4ERAB9ASMN1; SMN2NPC1ALDH1A1 | |
| Bromide SCHEMBL7221661 | 0.87 | CYP19A1 (0.60) | KDM4ERAB9ANPC1CYP19A1ALDH1A1 | |
| SCHEMBL7215194 | 0.87 | KDM4E (0.57) | KDM4ERAB9ASMN1; SMN2NPC1CDK5 | |
| SCHEMBL3199919 | 0.87 | CYP19A1 (0.62) | KDM4ERAB9ANPC1CYP19A1CDC7 | |
| SCHEMBL7533825 | 0.86 | NPC1 (0.71) | KDM4ERAB9ASMN1; SMN2NPC1CYP19A1 | |
| SCHEMBL27538606 | 0.86 | CYP19A1 (0.61) | KDM4ERAB9ANPC1CYP19A1ALDH1A1 | |
| Bromide SCHEMBL7215820 | 0.86 | KDM4E (0.59) | KDM4ERAB9ASMN1; SMN2NPC1CDK5 | |
| SCHEMBL19006407 | 0.81 | RAB9A (0.64) | KDM4ERAB9ASMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL2796792 | 0.81 | CA12 (0.59) | CDC7DBF4ALDH1A1LMNA |
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 |