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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.65 |
| ▸ | USP2 | O75604 | 3/20 | 0.65 |
| ▸ | HPGD | P15428 | 3/20 | 0.65 |
| ▸ | GAA | P10253 | 3/20 | 0.65 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.65 |
| ▸ | GFER | P55789 | 1/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.65 |
| ▸ | RAB9A | P51151 | 3/20 | 0.64 |
| ▸ | CYP19A1 | P11511 | 8/20 | 0.63 |
| ▸ | AXL | P30530 | 1/20 | 0.63 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.63 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.63 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.63 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL7036372 | 0.99 | ALDH1A1 (0.66) | ALDH1A1KDM4EUSP2HPGDGAA | |
| SCHEMBL11460926 | 0.80 | RAB9A (0.94) | ALDH1A1KDM4EGAAHSD17B10RAB9A | |
| SCHEMBL7495850 | 0.79 | RAB9A (1.00) | ALDH1A1KDM4EHPGDGAAHSD17B10 | |
| SCHEMBL6649362 | 0.79 | CYP19A1 (0.87) | ALDH1A1KDM4EHPGDGAAHSD17B10 | |
| SCHEMBL6196239 | 0.79 | CYP19A1 (1.00) | ALDH1A1KDM4EGAAHSD17B10RAB9A | |
| SCHEMBL17073207 | 0.79 | ALDH1A1 (1.00) | ALDH1A1KDM4EUSP2HPGDGAA | |
| Hydrochloric Acid SCHEMBL11452940 | 0.78 | RAB9A (0.97) | ALDH1A1KDM4EHPGDGAAHSD17B10 | |
| SCHEMBL17073124 | 0.78 | ALDH1A1 (1.00) | ALDH1A1KDM4EUSP2HPGDGAA | |
| SCHEMBL11473901 | 0.77 | RAB9A (0.77) | ALDH1A1KDM4ERAB9ACYP19A1AXL | |
| SCHEMBL8978641 | 0.77 | CYP19A1 (0.89) | ALDH1A1KDM4EGAAHSD17B10RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1467981-A1 | 4(HETERO-) ARYL SUBSTITUTED (THIA-/OXA-/PYRA) ZOLES FOR INHIBITION OF TIE-2 | Kylix Pharmaceuticals B.V. (NL) | 2004-10-20 | — | — | EP | disclosed |
| WO-2003062215-A1 | 4(HETERO-) ARYL SUBSTITUTED (THIA-/OXA-/PYRA) ZOLES FOR INHIBITION OF TIE-2 | KYLIX PHARMACEUTICALS B.V. (NL) | 2003-07-31 | — | — | WO | disclosed |